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From: Joel S. <mjs...@al...> - 2026-04-14 19:58:44
|
Hello thank you for your kind update:) attached is my CV/CL feel free to call me for a virtual interview. Best, Joel 🚀 On Tue, Apr 14, 2026 at 3:04 PM Xiang-Jun Lu <3d...@gm...> wrote: > The *X3DNA-DSSR* resource is at the forefront of structural > bioinformatics, developing advanced tools for analyzing and modeling > nucleic acid structures. We are seeking a highly motivated *Staff > Associate II* to join our team and contribute to our next-generation > analysis and visualization engine. > > To see our resource in action, please visit *wDSSR*, our new web > interface for dissecting and modeling 3D nucleic acid structures: *https://web.x3dna-dssr.org/ > <https://web.x3dna-dssr.org/>*. > > We are looking for a candidate with a strong scientific background in > structural biology or bioinformatics and a desire to contribute to > peer-reviewed publications through community-driven data analysis. We value > individuals who are eager to learn, adapt to new technical challenges, and > support the global research community. > > For the full job description and to submit your application, please visit > the official Columbia University posting:*https://apply.interfolio.com/183705 > <https://apply.interfolio.com/183705>* > -- > Xiang-Jun Lu (Ph.D.) > Email: xia...@x3... > Web: http://x3dna.org/ > Forum: http://forum.x3dna.org/ > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe |
|
From: Xiang-Jun Lu <3d...@gm...> - 2026-04-14 19:01:42
|
The *X3DNA-DSSR* resource is at the forefront of structural bioinformatics, developing advanced tools for analyzing and modeling nucleic acid structures. We are seeking a highly motivated *Staff Associate II* to join our team and contribute to our next-generation analysis and visualization engine. To see our resource in action, please visit *wDSSR*, our new web interface for dissecting and modeling 3D nucleic acid structures: *https://web.x3dna-dssr.org/ <https://web.x3dna-dssr.org/>*. We are looking for a candidate with a strong scientific background in structural biology or bioinformatics and a desire to contribute to peer-reviewed publications through community-driven data analysis. We value individuals who are eager to learn, adapt to new technical challenges, and support the global research community. For the full job description and to submit your application, please visit the official Columbia University posting:*https://apply.interfolio.com/183705 <https://apply.interfolio.com/183705>* -- Xiang-Jun Lu (Ph.D.) Email: xia...@x3... Web: http://x3dna.org/ Forum: http://forum.x3dna.org/ |
|
From: Jarrett J. <jar...@sc...> - 2026-03-12 15:17:14
|
Hi Tatiana, We recently released a 3.1 patch that provides two movie export options. If you're not using PyMOL 3's Timeline to create movies, you would now export via `File > Export Movie` and then select `Legacy` before exporting. Best, Jarrett J. On Thu, Mar 12, 2026 at 10:40 AM Spatola Rossi, Tatiana via PyMOL-users < pym...@li...> wrote: > Hello, > I have created a movie in pymol which has 240 frames and 1 state. When I > press play in pymol it shows the movie but when I export it (as mpeg 1) and > open it with VLC video player it just displays the first frame. Does > someone know about this? > Thank you! > Tatiana > ------------------------------ > > Founded in 1821, Heriot-Watt is a leader in ideas and solutions. With > campuses and students across the entire globe we span the world, delivering > innovation and educational excellence in business, engineering, design and > the physical, social and life sciences. This email is generated from the > Heriot-Watt University Group, which includes: > > 1. Heriot-Watt University, a Scottish charity registered under number > SC000278 > 2. Heriot- Watt Services Limited (Oriam), Scotland's national > performance centre for sport. Heriot-Watt Services Limited is a private > limited company registered is Scotland with registered number SC271030 and > registered office at Research & Enterprise Services Heriot-Watt University, > Riccarton, Edinburgh, EH14 4AS. > > The contents (including any attachments) are confidential. If you are not > the intended recipient of this e-mail, any disclosure, copying, > distribution or use of its contents is strictly prohibited, and you should > please notify the sender immediately and then delete it (including any > attachments) from your system. > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > -- *Jarrett Johnson* | Staff Developer, PyMOL |
|
From: José F. A. <jfr...@gm...> - 2026-03-12 14:48:08
|
En lugar de exportar directamente como MPEG, exporta la película como una *secuencia de imágenes (PNG)*. 1. Ve a File > Export Movie > As PNG Images.... 2. PyMOL guardará 240 archivos (movie001.png, movie002.png, etc.). 3. Luego, usa un software externo para unirlas. Esto te da la máxima calidad y evita errores de compresión. El flujo de trabajo estándar en bioinformática es: Renderizar a PNG: Como mencioné arriba, genera la secuencia de imágenes. Unir con FFmpeg: Es una herramienta gratuita de línea de comandos que crea vídeos perfectos. El comando sería algo como: ffmpeg -i movie%03d.png -c:v libx264 -pix_fmt yuv420p mi_pelicula.mp4 Espero sea de ayuda Saludos El jue, 12 mar 2026, 15:41, Spatola Rossi, Tatiana via PyMOL-users < pym...@li...> escribió: > Hello, > I have created a movie in pymol which has 240 frames and 1 state. When I > press play in pymol it shows the movie but when I export it (as mpeg 1) and > open it with VLC video player it just displays the first frame. Does > someone know about this? > Thank you! > Tatiana > ------------------------------ > > Founded in 1821, Heriot-Watt is a leader in ideas and solutions. With > campuses and students across the entire globe we span the world, delivering > innovation and educational excellence in business, engineering, design and > the physical, social and life sciences. This email is generated from the > Heriot-Watt University Group, which includes: > > 1. Heriot-Watt University, a Scottish charity registered under number > SC000278 > 2. Heriot- Watt Services Limited (Oriam), Scotland's national > performance centre for sport. Heriot-Watt Services Limited is a private > limited company registered is Scotland with registered number SC271030 and > registered office at Research & Enterprise Services Heriot-Watt University, > Riccarton, Edinburgh, EH14 4AS. > > The contents (including any attachments) are confidential. If you are not > the intended recipient of this e-mail, any disclosure, copying, > distribution or use of its contents is strictly prohibited, and you should > please notify the sender immediately and then delete it (including any > attachments) from your system. > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe |
|
From: Spatola R. T. <T.S...@hw...> - 2026-03-12 14:39:20
|
Hello, I have created a movie in pymol which has 240 frames and 1 state. When I press play in pymol it shows the movie but when I export it (as mpeg 1) and open it with VLC video player it just displays the first frame. Does someone know about this? Thank you! Tatiana ________________________________ Founded in 1821, Heriot-Watt is a leader in ideas and solutions. With campuses and students across the entire globe we span the world, delivering innovation and educational excellence in business, engineering, design and the physical, social and life sciences. This email is generated from the Heriot-Watt University Group, which includes: 1. Heriot-Watt University, a Scottish charity registered under number SC000278 2. Heriot- Watt Services Limited (Oriam), Scotland's national performance centre for sport. Heriot-Watt Services Limited is a private limited company registered is Scotland with registered number SC271030 and registered office at Research & Enterprise Services Heriot-Watt University, Riccarton, Edinburgh, EH14 4AS. The contents (including any attachments) are confidential. If you are not the intended recipient of this e-mail, any disclosure, copying, distribution or use of its contents is strictly prohibited, and you should please notify the sender immediately and then delete it (including any attachments) from your system. |
|
From: Jarrett J. <jar...@sc...> - 2026-02-21 02:34:24
|
As the first command ``` set matrix_mode, 1 fetch 2blx fetch 2bly symexp sym2blx, 2blx, (2blx), 4 symexp sym2bly, 2bly, (2bly), 4 align 2bly, 2blx matrix_copy 2bly, sym2bly* ``` [image: image.png] Assuming this is what you want. Best, Jarrett J. On Fri, Feb 20, 2026 at 8:34 PM Francisco Murphy Pérez < fra...@ib...> wrote: > before matrix_copy...it moves the symmetry mates to other places...(not > around the original coordinates) > > El vie, 20 feb 2026 a la(s) 7:25 p.m., Francisco Murphy Pérez ( > fra...@ib...) escribió: > >> before all commands...or just before the matrix_copy command? >> >> El vie, 20 feb 2026 a la(s) 4:29 p.m., Jarrett Johnson ( >> jar...@sc...) escribió: >> >>> HI Francisco, >>> >>> Yes, this is definitely a bug. We'll address this in the next patch. In >>> the meantime, can you run `set matrix_mode, 1` before doing these commands >>> and see if that helps? >>> >>> Best, >>> Jarrett J >>> >>> On Fri, Feb 20, 2026 at 4:55 PM Francisco Murphy Pérez < >>> fra...@ib...> wrote: >>> >>>> Dear PYMOL users...I found a bug... >>>> or.. Am I doing something wrong? >>>> >>>> got this >>>> ``` >>>> fetch 2blx >>>> fetch 2bly >>>> symexp sym2blx, 2blx, (2blx), 4 >>>> symexp sym2bly, 2bly, (2bly), 4 >>>> align 2bly, 2blx >>>> matrix_copy 2bly, sym2bly* >>>> ``` >>>> >>>> Attached are 2 screenshots, before and after the last command >>>> >>>> How do I align symmetry mates? >>>> Most importantly... is this a feature or a bug? >>>> (joking...) >>>> >>>> Any help is appreciated! >>>> Thanks >>>> >>>> _______________________________________________ >>>> PyMOL-users mailing list >>>> Archives: http://www.mail-archive.com/pym...@li... >>>> Unsubscribe: >>>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >>> >>> >>> >>> -- >>> >>> *Jarrett Johnson* | Staff Developer, PyMOL >>> >>> -- *Jarrett Johnson* | Staff Developer, PyMOL |
|
From: Francisco M. P. <fra...@ib...> - 2026-02-21 01:34:59
|
before matrix_copy...it moves the symmetry mates to other places...(not around the original coordinates) El vie, 20 feb 2026 a la(s) 7:25 p.m., Francisco Murphy Pérez ( fra...@ib...) escribió: > before all commands...or just before the matrix_copy command? > > El vie, 20 feb 2026 a la(s) 4:29 p.m., Jarrett Johnson ( > jar...@sc...) escribió: > >> HI Francisco, >> >> Yes, this is definitely a bug. We'll address this in the next patch. In >> the meantime, can you run `set matrix_mode, 1` before doing these commands >> and see if that helps? >> >> Best, >> Jarrett J >> >> On Fri, Feb 20, 2026 at 4:55 PM Francisco Murphy Pérez < >> fra...@ib...> wrote: >> >>> Dear PYMOL users...I found a bug... >>> or.. Am I doing something wrong? >>> >>> got this >>> ``` >>> fetch 2blx >>> fetch 2bly >>> symexp sym2blx, 2blx, (2blx), 4 >>> symexp sym2bly, 2bly, (2bly), 4 >>> align 2bly, 2blx >>> matrix_copy 2bly, sym2bly* >>> ``` >>> >>> Attached are 2 screenshots, before and after the last command >>> >>> How do I align symmetry mates? >>> Most importantly... is this a feature or a bug? >>> (joking...) >>> >>> Any help is appreciated! >>> Thanks >>> >>> _______________________________________________ >>> PyMOL-users mailing list >>> Archives: http://www.mail-archive.com/pym...@li... >>> Unsubscribe: >>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >> >> >> >> -- >> >> *Jarrett Johnson* | Staff Developer, PyMOL >> >> |
|
From: Francisco M. P. <fra...@ib...> - 2026-02-21 01:25:33
|
before all commands...or just before the matrix_copy command? El vie, 20 feb 2026 a la(s) 4:29 p.m., Jarrett Johnson ( jar...@sc...) escribió: > HI Francisco, > > Yes, this is definitely a bug. We'll address this in the next patch. In > the meantime, can you run `set matrix_mode, 1` before doing these commands > and see if that helps? > > Best, > Jarrett J > > On Fri, Feb 20, 2026 at 4:55 PM Francisco Murphy Pérez < > fra...@ib...> wrote: > >> Dear PYMOL users...I found a bug... >> or.. Am I doing something wrong? >> >> got this >> ``` >> fetch 2blx >> fetch 2bly >> symexp sym2blx, 2blx, (2blx), 4 >> symexp sym2bly, 2bly, (2bly), 4 >> align 2bly, 2blx >> matrix_copy 2bly, sym2bly* >> ``` >> >> Attached are 2 screenshots, before and after the last command >> >> How do I align symmetry mates? >> Most importantly... is this a feature or a bug? >> (joking...) >> >> Any help is appreciated! >> Thanks >> >> _______________________________________________ >> PyMOL-users mailing list >> Archives: http://www.mail-archive.com/pym...@li... >> Unsubscribe: >> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > > > > -- > > *Jarrett Johnson* | Staff Developer, PyMOL > > |
|
From: Jarrett J. <jar...@sc...> - 2026-02-20 22:29:38
|
HI Francisco, Yes, this is definitely a bug. We'll address this in the next patch. In the meantime, can you run `set matrix_mode, 1` before doing these commands and see if that helps? Best, Jarrett J On Fri, Feb 20, 2026 at 4:55 PM Francisco Murphy Pérez < fra...@ib...> wrote: > Dear PYMOL users...I found a bug... > or.. Am I doing something wrong? > > got this > ``` > fetch 2blx > fetch 2bly > symexp sym2blx, 2blx, (2blx), 4 > symexp sym2bly, 2bly, (2bly), 4 > align 2bly, 2blx > matrix_copy 2bly, sym2bly* > ``` > > Attached are 2 screenshots, before and after the last command > > How do I align symmetry mates? > Most importantly... is this a feature or a bug? > (joking...) > > Any help is appreciated! > Thanks > > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe -- *Jarrett Johnson* | Staff Developer, PyMOL |
|
From: Francisco M. P. <fra...@ib...> - 2026-02-20 21:53:16
|
Dear PYMOL users...I found a bug... or.. Am I doing something wrong? got this ``` fetch 2blx fetch 2bly symexp sym2blx, 2blx, (2blx), 4 symexp sym2bly, 2bly, (2bly), 4 align 2bly, 2blx matrix_copy 2bly, sym2bly* ``` Attached are 2 screenshots, before and after the last command How do I align symmetry mates? Most importantly... is this a feature or a bug? (joking...) Any help is appreciated! Thanks |
|
From: Francisco M. P. <fra...@ib...> - 2026-02-07 19:23:16
|
Hi can you provide a mre? ( https://stackoverflow.com/help/minimal-reproducible-example) and version numbers? you know just to know if it happens the same on this side? I am not a pymol developer or something like that. Just a mortal guy trying to help. El vie, 6 feb 2026 a la(s) 5:23 p.m., Khoroshyy Petro (kho...@gm...) escribió: > Hi > I see, I'll give it a try. > Best regards. > Petro. > > On Fri, 6 Feb 2026 at 21:54, Jarrett Johnson < > jar...@sc...> wrote: > >> Hi, >> >> There is an evaluation period that doesn't require one. Hopefully that >> should be long enough for the fix to migrate to the open-source packages. >> >> Jarrett J >> >> On Fri, Feb 6, 2026 at 3:10 PM Khoroshyy Petro <kho...@gm...> >> wrote: >> >>> Hi Jarrett, >>> >>> I will try that, but don't I need a license for it? >>> >>> Best, >>> Petro >>> >>> On Fri, 6 Feb 2026 at 21:00, Jarrett Johnson < >>> jar...@sc...> wrote: >>> >>>> Hi, >>>> >>>> I think there's actually a bug still present in the open-source version >>>> (which is what conda-forge is based off of)! I see exactly what you're >>>> observing, and I will file an issue on the Github repository later today. >>>> If you pull PyMOL from the `schrodinger` conda channel or use the latest >>>> version from pymol.org, transparency mode 3 should work fine. >>>> >>>> Best, >>>> Jarrett J. >>>> >>>> On Fri, Feb 6, 2026 at 2:50 PM Khoroshyy Petro <kho...@gm...> >>>> wrote: >>>> >>>>> Hi everyone, >>>>> >>>>> Thank you for the responses. >>>>> >>>>> I am currently using PyMOL version 3.1.0 from conda-forge. I will try >>>>> the suggested commands to see if they resolve the issue. >>>>> >>>>> It occurs to me that the problem might be related to the specific >>>>> colors used. I haven't tested this in a while, but I don't recall having >>>>> these issues with the last version of PyMOL 2. I believe I demonstrated >>>>> this during a course about two years ago, though it is possible my memory >>>>> is failing me. >>>>> Is there a way to print out all settings? >>>>> Best. >>>>> Petro. >>>>> >>>>> Best regards, >>>>> >>>>> Petro. >>>>> >>>>> On Fri, 6 Feb 2026 at 20:29, Jarrett Johnson < >>>>> jar...@sc...> wrote: >>>>> >>>>>> Hi Petro, >>>>>> >>>>>> I don't think my original reply went through, but can I ask what >>>>>> version of PyMOL you're using and what exact commands you're using to >>>>>> create the image? On my end at least, with just pulling up an entry, >>>>>> showing surface, setting transparency both on cartoon and surface, and >>>>>> setting tmode to 3, I don't see what you're observing with the latest PyMOL >>>>>> (3.1.6.1). >>>>>> >>>>>> Best, >>>>>> Jarrett J. >>>>>> >>>>>> On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj < >>>>>> kr...@co...> wrote: >>>>>> >>>>>>> Hello, >>>>>>> >>>>>>> I guess the problem occurs when you make both cartoon + surface >>>>>>> transparent in real-time with transparency_mode=3, the OpenGL renderer in >>>>>>> PyMOL simply sucks at compositing multiple transparent objects. >>>>>>> >>>>>>> >>>>>>> try this: >>>>>>> >>>>>>> >>>>>>> set transparency_mode, 1 >>>>>>> >>>>>>> set backface_cull, 0 >>>>>>> set two_sided_lighting, 1 >>>>>>> unset ray_shadows >>>>>>> >>>>>>> then render with >>>>>>> >>>>>>> ray >>>>>>> >>>>>>> I hope it helps. >>>>>>> >>>>>>> >>>>>>> Cheers! >>>>>>> >>>>>>> Kushal Raj Roy >>>>>>> >>>>>>> >>>>>>> >>>>>>> Get Outlook for iOS <https://aka.ms/o0ukef> >>>>>>> ------------------------------ >>>>>>> *From:* Khoroshyy Petro <kho...@gm...> >>>>>>> *Sent:* Friday, February 6, 2026 12:42:10 PM >>>>>>> *To:* pymol-users <pym...@li...> >>>>>>> *Subject:* [PyMOL] transparency_mode 3 looks ugly >>>>>>> >>>>>>> Hi pymollers, >>>>>>> >>>>>>> I hope this mailing list is still active. I have noticed a decrease >>>>>>> in traffic since AI release, but I hope there are still >>>>>>> knowledgeable people. >>>>>>> >>>>>>> I am having trouble with transparency rendering when setting both >>>>>>> cartoon and surface to transparent with transparency_mode set to 3. While >>>>>>> both surfaces are visible, the resulting image quality is poor. Please see >>>>>>> link to the picture for reference. >>>>>>> https://photos.app.goo.gl/corhXXpVmdsytmxg6 >>>>>>> <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> >>>>>>> Could you provide any guidance on how to resolve this? >>>>>>> >>>>>>> Best regards, >>>>>>> >>>>>>> Petro Khoroshyy >>>>>>> _______________________________________________ >>>>>>> PyMOL-users mailing list >>>>>>> Archives: >>>>>>> http://www.mail-archive.com/pym...@li... >>>>>>> Unsubscribe: >>>>>>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >>>>>> >>>>>> >>>>>> >>>>>> -- >>>>>> >>>>>> *Jarrett Johnson* | Staff Developer, PyMOL >>>>>> >>>>>> >>>> >>>> -- >>>> >>>> *Jarrett Johnson* | Staff Developer, PyMOL >>>> >>>> >> >> -- >> >> *Jarrett Johnson* | Staff Developer, PyMOL >> >> _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe |
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From: Khoroshyy P. <kho...@gm...> - 2026-02-06 23:12:37
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Hi I see, I'll give it a try. Best regards. Petro. On Fri, 6 Feb 2026 at 21:54, Jarrett Johnson < jar...@sc...> wrote: > Hi, > > There is an evaluation period that doesn't require one. Hopefully that > should be long enough for the fix to migrate to the open-source packages. > > Jarrett J > > On Fri, Feb 6, 2026 at 3:10 PM Khoroshyy Petro <kho...@gm...> > wrote: > >> Hi Jarrett, >> >> I will try that, but don't I need a license for it? >> >> Best, >> Petro >> >> On Fri, 6 Feb 2026 at 21:00, Jarrett Johnson < >> jar...@sc...> wrote: >> >>> Hi, >>> >>> I think there's actually a bug still present in the open-source version >>> (which is what conda-forge is based off of)! I see exactly what you're >>> observing, and I will file an issue on the Github repository later today. >>> If you pull PyMOL from the `schrodinger` conda channel or use the latest >>> version from pymol.org, transparency mode 3 should work fine. >>> >>> Best, >>> Jarrett J. >>> >>> On Fri, Feb 6, 2026 at 2:50 PM Khoroshyy Petro <kho...@gm...> >>> wrote: >>> >>>> Hi everyone, >>>> >>>> Thank you for the responses. >>>> >>>> I am currently using PyMOL version 3.1.0 from conda-forge. I will try >>>> the suggested commands to see if they resolve the issue. >>>> >>>> It occurs to me that the problem might be related to the specific >>>> colors used. I haven't tested this in a while, but I don't recall having >>>> these issues with the last version of PyMOL 2. I believe I demonstrated >>>> this during a course about two years ago, though it is possible my memory >>>> is failing me. >>>> Is there a way to print out all settings? >>>> Best. >>>> Petro. >>>> >>>> Best regards, >>>> >>>> Petro. >>>> >>>> On Fri, 6 Feb 2026 at 20:29, Jarrett Johnson < >>>> jar...@sc...> wrote: >>>> >>>>> Hi Petro, >>>>> >>>>> I don't think my original reply went through, but can I ask what >>>>> version of PyMOL you're using and what exact commands you're using to >>>>> create the image? On my end at least, with just pulling up an entry, >>>>> showing surface, setting transparency both on cartoon and surface, and >>>>> setting tmode to 3, I don't see what you're observing with the latest PyMOL >>>>> (3.1.6.1). >>>>> >>>>> Best, >>>>> Jarrett J. >>>>> >>>>> On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj <kr...@co...> >>>>> wrote: >>>>> >>>>>> Hello, >>>>>> >>>>>> I guess the problem occurs when you make both cartoon + surface >>>>>> transparent in real-time with transparency_mode=3, the OpenGL renderer in >>>>>> PyMOL simply sucks at compositing multiple transparent objects. >>>>>> >>>>>> >>>>>> try this: >>>>>> >>>>>> >>>>>> set transparency_mode, 1 >>>>>> >>>>>> set backface_cull, 0 >>>>>> set two_sided_lighting, 1 >>>>>> unset ray_shadows >>>>>> >>>>>> then render with >>>>>> >>>>>> ray >>>>>> >>>>>> I hope it helps. >>>>>> >>>>>> >>>>>> Cheers! >>>>>> >>>>>> Kushal Raj Roy >>>>>> >>>>>> >>>>>> >>>>>> Get Outlook for iOS <https://aka.ms/o0ukef> >>>>>> ------------------------------ >>>>>> *From:* Khoroshyy Petro <kho...@gm...> >>>>>> *Sent:* Friday, February 6, 2026 12:42:10 PM >>>>>> *To:* pymol-users <pym...@li...> >>>>>> *Subject:* [PyMOL] transparency_mode 3 looks ugly >>>>>> >>>>>> Hi pymollers, >>>>>> >>>>>> I hope this mailing list is still active. I have noticed a decrease >>>>>> in traffic since AI release, but I hope there are still >>>>>> knowledgeable people. >>>>>> >>>>>> I am having trouble with transparency rendering when setting both >>>>>> cartoon and surface to transparent with transparency_mode set to 3. While >>>>>> both surfaces are visible, the resulting image quality is poor. Please see >>>>>> link to the picture for reference. >>>>>> https://photos.app.goo.gl/corhXXpVmdsytmxg6 >>>>>> <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> >>>>>> Could you provide any guidance on how to resolve this? >>>>>> >>>>>> Best regards, >>>>>> >>>>>> Petro Khoroshyy >>>>>> _______________________________________________ >>>>>> PyMOL-users mailing list >>>>>> Archives: >>>>>> http://www.mail-archive.com/pym...@li... >>>>>> Unsubscribe: >>>>>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >>>>> >>>>> >>>>> >>>>> -- >>>>> >>>>> *Jarrett Johnson* | Staff Developer, PyMOL >>>>> >>>>> >>> >>> -- >>> >>> *Jarrett Johnson* | Staff Developer, PyMOL >>> >>> > > -- > > *Jarrett Johnson* | Staff Developer, PyMOL > > |
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From: Jarrett J. <jar...@sc...> - 2026-02-06 20:54:25
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Hi, There is an evaluation period that doesn't require one. Hopefully that should be long enough for the fix to migrate to the open-source packages. Jarrett J On Fri, Feb 6, 2026 at 3:10 PM Khoroshyy Petro <kho...@gm...> wrote: > Hi Jarrett, > > I will try that, but don't I need a license for it? > > Best, > Petro > > On Fri, 6 Feb 2026 at 21:00, Jarrett Johnson < > jar...@sc...> wrote: > >> Hi, >> >> I think there's actually a bug still present in the open-source version >> (which is what conda-forge is based off of)! I see exactly what you're >> observing, and I will file an issue on the Github repository later today. >> If you pull PyMOL from the `schrodinger` conda channel or use the latest >> version from pymol.org, transparency mode 3 should work fine. >> >> Best, >> Jarrett J. >> >> On Fri, Feb 6, 2026 at 2:50 PM Khoroshyy Petro <kho...@gm...> >> wrote: >> >>> Hi everyone, >>> >>> Thank you for the responses. >>> >>> I am currently using PyMOL version 3.1.0 from conda-forge. I will try >>> the suggested commands to see if they resolve the issue. >>> >>> It occurs to me that the problem might be related to the specific colors >>> used. I haven't tested this in a while, but I don't recall having these >>> issues with the last version of PyMOL 2. I believe I demonstrated this >>> during a course about two years ago, though it is possible my memory is >>> failing me. >>> Is there a way to print out all settings? >>> Best. >>> Petro. >>> >>> Best regards, >>> >>> Petro. >>> >>> On Fri, 6 Feb 2026 at 20:29, Jarrett Johnson < >>> jar...@sc...> wrote: >>> >>>> Hi Petro, >>>> >>>> I don't think my original reply went through, but can I ask what >>>> version of PyMOL you're using and what exact commands you're using to >>>> create the image? On my end at least, with just pulling up an entry, >>>> showing surface, setting transparency both on cartoon and surface, and >>>> setting tmode to 3, I don't see what you're observing with the latest PyMOL >>>> (3.1.6.1). >>>> >>>> Best, >>>> Jarrett J. >>>> >>>> On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj <kr...@co...> >>>> wrote: >>>> >>>>> Hello, >>>>> >>>>> I guess the problem occurs when you make both cartoon + surface >>>>> transparent in real-time with transparency_mode=3, the OpenGL renderer in >>>>> PyMOL simply sucks at compositing multiple transparent objects. >>>>> >>>>> >>>>> try this: >>>>> >>>>> >>>>> set transparency_mode, 1 >>>>> >>>>> set backface_cull, 0 >>>>> set two_sided_lighting, 1 >>>>> unset ray_shadows >>>>> >>>>> then render with >>>>> >>>>> ray >>>>> >>>>> I hope it helps. >>>>> >>>>> >>>>> Cheers! >>>>> >>>>> Kushal Raj Roy >>>>> >>>>> >>>>> >>>>> Get Outlook for iOS <https://aka.ms/o0ukef> >>>>> ------------------------------ >>>>> *From:* Khoroshyy Petro <kho...@gm...> >>>>> *Sent:* Friday, February 6, 2026 12:42:10 PM >>>>> *To:* pymol-users <pym...@li...> >>>>> *Subject:* [PyMOL] transparency_mode 3 looks ugly >>>>> >>>>> Hi pymollers, >>>>> >>>>> I hope this mailing list is still active. I have noticed a decrease in >>>>> traffic since AI release, but I hope there are still knowledgeable people. >>>>> >>>>> I am having trouble with transparency rendering when setting both >>>>> cartoon and surface to transparent with transparency_mode set to 3. While >>>>> both surfaces are visible, the resulting image quality is poor. Please see >>>>> link to the picture for reference. >>>>> https://photos.app.goo.gl/corhXXpVmdsytmxg6 >>>>> <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> >>>>> Could you provide any guidance on how to resolve this? >>>>> >>>>> Best regards, >>>>> >>>>> Petro Khoroshyy >>>>> _______________________________________________ >>>>> PyMOL-users mailing list >>>>> Archives: >>>>> http://www.mail-archive.com/pym...@li... >>>>> Unsubscribe: >>>>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >>>> >>>> >>>> >>>> -- >>>> >>>> *Jarrett Johnson* | Staff Developer, PyMOL >>>> >>>> >> >> -- >> >> *Jarrett Johnson* | Staff Developer, PyMOL >> >> -- *Jarrett Johnson* | Staff Developer, PyMOL |
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From: Khoroshyy P. <kho...@gm...> - 2026-02-06 20:10:41
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Hi Jarrett, I will try that, but don't I need a license for it? Best, Petro On Fri, 6 Feb 2026 at 21:00, Jarrett Johnson < jar...@sc...> wrote: > Hi, > > I think there's actually a bug still present in the open-source version > (which is what conda-forge is based off of)! I see exactly what you're > observing, and I will file an issue on the Github repository later today. > If you pull PyMOL from the `schrodinger` conda channel or use the latest > version from pymol.org, transparency mode 3 should work fine. > > Best, > Jarrett J. > > On Fri, Feb 6, 2026 at 2:50 PM Khoroshyy Petro <kho...@gm...> > wrote: > >> Hi everyone, >> >> Thank you for the responses. >> >> I am currently using PyMOL version 3.1.0 from conda-forge. I will try the >> suggested commands to see if they resolve the issue. >> >> It occurs to me that the problem might be related to the specific colors >> used. I haven't tested this in a while, but I don't recall having these >> issues with the last version of PyMOL 2. I believe I demonstrated this >> during a course about two years ago, though it is possible my memory is >> failing me. >> Is there a way to print out all settings? >> Best. >> Petro. >> >> Best regards, >> >> Petro. >> >> On Fri, 6 Feb 2026 at 20:29, Jarrett Johnson < >> jar...@sc...> wrote: >> >>> Hi Petro, >>> >>> I don't think my original reply went through, but can I ask what version >>> of PyMOL you're using and what exact commands you're using to create the >>> image? On my end at least, with just pulling up an entry, showing surface, >>> setting transparency both on cartoon and surface, and setting tmode to 3, I >>> don't see what you're observing with the latest PyMOL (3.1.6.1). >>> >>> Best, >>> Jarrett J. >>> >>> On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj <kr...@co...> >>> wrote: >>> >>>> Hello, >>>> >>>> I guess the problem occurs when you make both cartoon + surface >>>> transparent in real-time with transparency_mode=3, the OpenGL renderer in >>>> PyMOL simply sucks at compositing multiple transparent objects. >>>> >>>> >>>> try this: >>>> >>>> >>>> set transparency_mode, 1 >>>> >>>> set backface_cull, 0 >>>> set two_sided_lighting, 1 >>>> unset ray_shadows >>>> >>>> then render with >>>> >>>> ray >>>> >>>> I hope it helps. >>>> >>>> >>>> Cheers! >>>> >>>> Kushal Raj Roy >>>> >>>> >>>> >>>> Get Outlook for iOS <https://aka.ms/o0ukef> >>>> ------------------------------ >>>> *From:* Khoroshyy Petro <kho...@gm...> >>>> *Sent:* Friday, February 6, 2026 12:42:10 PM >>>> *To:* pymol-users <pym...@li...> >>>> *Subject:* [PyMOL] transparency_mode 3 looks ugly >>>> >>>> Hi pymollers, >>>> >>>> I hope this mailing list is still active. I have noticed a decrease in >>>> traffic since AI release, but I hope there are still knowledgeable people. >>>> >>>> I am having trouble with transparency rendering when setting both >>>> cartoon and surface to transparent with transparency_mode set to 3. While >>>> both surfaces are visible, the resulting image quality is poor. Please see >>>> link to the picture for reference. >>>> https://photos.app.goo.gl/corhXXpVmdsytmxg6 >>>> <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> >>>> Could you provide any guidance on how to resolve this? >>>> >>>> Best regards, >>>> >>>> Petro Khoroshyy >>>> _______________________________________________ >>>> PyMOL-users mailing list >>>> Archives: http://www.mail-archive.com/pym...@li... >>>> Unsubscribe: >>>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >>> >>> >>> >>> -- >>> >>> *Jarrett Johnson* | Staff Developer, PyMOL >>> >>> > > -- > > *Jarrett Johnson* | Staff Developer, PyMOL > > |
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From: Jarrett J. <jar...@sc...> - 2026-02-06 20:00:25
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Hi, I think there's actually a bug still present in the open-source version (which is what conda-forge is based off of)! I see exactly what you're observing, and I will file an issue on the Github repository later today. If you pull PyMOL from the `schrodinger` conda channel or use the latest version from pymol.org, transparency mode 3 should work fine. Best, Jarrett J. On Fri, Feb 6, 2026 at 2:50 PM Khoroshyy Petro <kho...@gm...> wrote: > Hi everyone, > > Thank you for the responses. > > I am currently using PyMOL version 3.1.0 from conda-forge. I will try the > suggested commands to see if they resolve the issue. > > It occurs to me that the problem might be related to the specific colors > used. I haven't tested this in a while, but I don't recall having these > issues with the last version of PyMOL 2. I believe I demonstrated this > during a course about two years ago, though it is possible my memory is > failing me. > Is there a way to print out all settings? > Best. > Petro. > > Best regards, > > Petro. > > On Fri, 6 Feb 2026 at 20:29, Jarrett Johnson < > jar...@sc...> wrote: > >> Hi Petro, >> >> I don't think my original reply went through, but can I ask what version >> of PyMOL you're using and what exact commands you're using to create the >> image? On my end at least, with just pulling up an entry, showing surface, >> setting transparency both on cartoon and surface, and setting tmode to 3, I >> don't see what you're observing with the latest PyMOL (3.1.6.1). >> >> Best, >> Jarrett J. >> >> On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj <kr...@co...> >> wrote: >> >>> Hello, >>> >>> I guess the problem occurs when you make both cartoon + surface >>> transparent in real-time with transparency_mode=3, the OpenGL renderer in >>> PyMOL simply sucks at compositing multiple transparent objects. >>> >>> >>> try this: >>> >>> >>> set transparency_mode, 1 >>> >>> set backface_cull, 0 >>> set two_sided_lighting, 1 >>> unset ray_shadows >>> >>> then render with >>> >>> ray >>> >>> I hope it helps. >>> >>> >>> Cheers! >>> >>> Kushal Raj Roy >>> >>> >>> >>> Get Outlook for iOS <https://aka.ms/o0ukef> >>> ------------------------------ >>> *From:* Khoroshyy Petro <kho...@gm...> >>> *Sent:* Friday, February 6, 2026 12:42:10 PM >>> *To:* pymol-users <pym...@li...> >>> *Subject:* [PyMOL] transparency_mode 3 looks ugly >>> >>> Hi pymollers, >>> >>> I hope this mailing list is still active. I have noticed a decrease in >>> traffic since AI release, but I hope there are still knowledgeable people. >>> >>> I am having trouble with transparency rendering when setting both >>> cartoon and surface to transparent with transparency_mode set to 3. While >>> both surfaces are visible, the resulting image quality is poor. Please see >>> link to the picture for reference. >>> https://photos.app.goo.gl/corhXXpVmdsytmxg6 >>> <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> >>> Could you provide any guidance on how to resolve this? >>> >>> Best regards, >>> >>> Petro Khoroshyy >>> _______________________________________________ >>> PyMOL-users mailing list >>> Archives: http://www.mail-archive.com/pym...@li... >>> Unsubscribe: >>> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe >> >> >> >> -- >> >> *Jarrett Johnson* | Staff Developer, PyMOL >> >> -- *Jarrett Johnson* | Staff Developer, PyMOL |
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From: Khoroshyy P. <kho...@gm...> - 2026-02-06 19:50:46
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Hi everyone, Thank you for the responses. I am currently using PyMOL version 3.1.0 from conda-forge. I will try the suggested commands to see if they resolve the issue. It occurs to me that the problem might be related to the specific colors used. I haven't tested this in a while, but I don't recall having these issues with the last version of PyMOL 2. I believe I demonstrated this during a course about two years ago, though it is possible my memory is failing me. Is there a way to print out all settings? Best. Petro. Best regards, Petro. On Fri, 6 Feb 2026 at 20:29, Jarrett Johnson < jar...@sc...> wrote: > Hi Petro, > > I don't think my original reply went through, but can I ask what version > of PyMOL you're using and what exact commands you're using to create the > image? On my end at least, with just pulling up an entry, showing surface, > setting transparency both on cartoon and surface, and setting tmode to 3, I > don't see what you're observing with the latest PyMOL (3.1.6.1). > > Best, > Jarrett J. > > On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj <kr...@co...> > wrote: > >> Hello, >> >> I guess the problem occurs when you make both cartoon + surface >> transparent in real-time with transparency_mode=3, the OpenGL renderer in >> PyMOL simply sucks at compositing multiple transparent objects. >> >> >> try this: >> >> >> set transparency_mode, 1 >> >> set backface_cull, 0 >> set two_sided_lighting, 1 >> unset ray_shadows >> >> then render with >> >> ray >> >> I hope it helps. >> >> >> Cheers! >> >> Kushal Raj Roy >> >> >> >> Get Outlook for iOS <https://aka.ms/o0ukef> >> ------------------------------ >> *From:* Khoroshyy Petro <kho...@gm...> >> *Sent:* Friday, February 6, 2026 12:42:10 PM >> *To:* pymol-users <pym...@li...> >> *Subject:* [PyMOL] transparency_mode 3 looks ugly >> >> Hi pymollers, >> >> I hope this mailing list is still active. I have noticed a decrease in >> traffic since AI release, but I hope there are still knowledgeable people. >> >> I am having trouble with transparency rendering when setting both cartoon >> and surface to transparent with transparency_mode set to 3. While both >> surfaces are visible, the resulting image quality is poor. Please see link >> to the picture for reference. >> https://photos.app.goo.gl/corhXXpVmdsytmxg6 >> <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> >> Could you provide any guidance on how to resolve this? >> >> Best regards, >> >> Petro Khoroshyy >> _______________________________________________ >> PyMOL-users mailing list >> Archives: http://www.mail-archive.com/pym...@li... >> Unsubscribe: >> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > > > > -- > > *Jarrett Johnson* | Staff Developer, PyMOL > > |
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From: Jarrett J. <jar...@sc...> - 2026-02-06 19:29:18
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Hi Petro, I don't think my original reply went through, but can I ask what version of PyMOL you're using and what exact commands you're using to create the image? On my end at least, with just pulling up an entry, showing surface, setting transparency both on cartoon and surface, and setting tmode to 3, I don't see what you're observing with the latest PyMOL (3.1.6.1). Best, Jarrett J. On Fri, Feb 6, 2026 at 2:18 PM Roy, Kushal Raj <kr...@co...> wrote: > Hello, > > I guess the problem occurs when you make both cartoon + surface > transparent in real-time with transparency_mode=3, the OpenGL renderer in > PyMOL simply sucks at compositing multiple transparent objects. > > > try this: > > > set transparency_mode, 1 > > set backface_cull, 0 > set two_sided_lighting, 1 > unset ray_shadows > > then render with > > ray > > I hope it helps. > > > Cheers! > > Kushal Raj Roy > > > > Get Outlook for iOS <https://aka.ms/o0ukef> > ------------------------------ > *From:* Khoroshyy Petro <kho...@gm...> > *Sent:* Friday, February 6, 2026 12:42:10 PM > *To:* pymol-users <pym...@li...> > *Subject:* [PyMOL] transparency_mode 3 looks ugly > > Hi pymollers, > > I hope this mailing list is still active. I have noticed a decrease in > traffic since AI release, but I hope there are still knowledgeable people. > > I am having trouble with transparency rendering when setting both cartoon > and surface to transparent with transparency_mode set to 3. While both > surfaces are visible, the resulting image quality is poor. Please see link > to the picture for reference. > https://photos.app.goo.gl/corhXXpVmdsytmxg6 > <https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> > Could you provide any guidance on how to resolve this? > > Best regards, > > Petro Khoroshyy > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe -- *Jarrett Johnson* | Staff Developer, PyMOL |
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From: Roy, K. R. <kr...@Co...> - 2026-02-06 19:16:38
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Hello, I guess the problem occurs when you make both cartoon + surface transparent in real-time with transparency_mode=3, the OpenGL renderer in PyMOL simply sucks at compositing multiple transparent objects. try this: set transparency_mode, 1 set backface_cull, 0 set two_sided_lighting, 1 unset ray_shadows then render with ray I hope it helps. Cheers! Kushal Raj Roy Get Outlook for iOS<https://aka.ms/o0ukef> ________________________________ From: Khoroshyy Petro <kho...@gm...> Sent: Friday, February 6, 2026 12:42:10 PM To: pymol-users <pym...@li...> Subject: [PyMOL] transparency_mode 3 looks ugly Hi pymollers, I hope this mailing list is still active. I have noticed a decrease in traffic since AI release, but I hope there are still knowledgeable people. I am having trouble with transparency rendering when setting both cartoon and surface to transparent with transparency_mode set to 3. While both surfaces are visible, the resulting image quality is poor. Please see link to the picture for reference. https://photos.app.goo.gl/corhXXpVmdsytmxg6<https://urldefense.com/v3/__https://photos.app.goo.gl/corhXXpVmdsytmxg6__;!!LkSTlj0I!CTMrAviBOj_OX3hjz4gyCljs15ODYJbA8cY62GpxnhBZrHuef3-Z-GYeVvUj-1G6OOWetEFaKSLXxRHxHGiOteg$> Could you provide any guidance on how to resolve this? Best regards, Petro Khoroshyy |
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From: Khoroshyy P. <kho...@gm...> - 2026-02-06 18:42:34
|
Hi pymollers, I hope this mailing list is still active. I have noticed a decrease in traffic since AI release, but I hope there are still knowledgeable people. I am having trouble with transparency rendering when setting both cartoon and surface to transparent with transparency_mode set to 3. While both surfaces are visible, the resulting image quality is poor. Please see link to the picture for reference. https://photos.app.goo.gl/corhXXpVmdsytmxg6 Could you provide any guidance on how to resolve this? Best regards, Petro Khoroshyy |
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From: Xu, Q. <qx...@an...> - 2026-02-02 16:07:48
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Dear Colleagues, We are pleased to announce that the 18th annual CCP4/APS Crystallographic School, "From Data Collection to Structure Refinement and Beyond," will be held from July 7th to 14th, 2026, at the Advanced Photon Source (APS), Argonne National Laboratory (ANL), near Chicago, Illinois, USA. The workshop is co-hosted by CCP4, GMCA and NE-CAT at APS. All details can be found on the school website: http://www.ccp4.ac.uk/schools/APS-2026/index.php. Dates: July 7th through 14th, 2026 (on-site), June 22nd, 2026 (virtual) Location: Advanced Photon Source, Argonne National Laboratory, Argonne (near Chicago), Illinois, USA The school comprises two parts: a data collection workshop and a crystallographic computing workshop. The data collection workshop includes beamline training, data collection at upgraded GMCA and NE-CAT beamlines, and data processing, using only the participants' crystals. The crystallographic computation workshop will feature many modern crystallographic software packages (including CCP4, PHENIX, XDS, HKL, and DIALS) taught by authors and other experts. This workshop will also introduce elements of CryoEM, such as model building and refinement. The daily schedule will be organized in three sections – lectures, tutorials, and hands-on (interactive troubleshooting of the technical difficulties participants face in their projects). An additional virtual day (June 22nd, 2026) will cover sample preparation (cryo-cooling), bioinformatics, and introductory crystallography lectures. We have had considerable success resolving these problems in past years, as attested by resulting publications (see http://www.ccp4.ac.uk/schools/APS-school/publications.php). A draft program can be found on the School website. Applicants: The workshop strongly encourages students who need expert help with difficulties/challenges in their own projects. Graduate students, postdoctoral researchers, and early-career faculty, along with commercial/industrial researchers, are encouraged to apply. Only about 25 applicants will be selected for participation. Application: The application deadline is May 15th, 2026, but we strongly encourage interested participants to apply as soon as possible. To apply, visit https://www.ccp4.ac.uk/schools/APS-2026/application.php Fees: There is a $500 participation fee for selected academic students and $1,500 for industrial researchers. No credit card will be required for registration; students who are selected to participate will be contacted to pay. The students will be responsible for their transportation and lodging. The workshop organizers can assist in making lodging reservations at the Argonne Guest House. The workshop will cover all other expenses (including meals). We hope to see you at the school. Charles, Andrey, Graeme and Qingping |
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From: Harald L. <har...@fa...> - 2026-01-30 12:26:11
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Dear all, <br>
<br>
(apologies for cross posting) <br>
<br>
we are delighted to announce here the <br>
"38th Molecular Modelling Workshop (MMWS)" <br>
that takes place on Monday 9th and Tuesday 10th March 2026 <br>
at the Friedrich-Alexander-University in Erlangen, Germany. <br>
<a class="moz-txt-link-freetext" href="http://mmws2026.mgms-ds.de"
moz-do-not-send="true">http://mmws2026.mgms-ds.de</a> <br>
<br>
The MMWS has a history of giving young scientists (especially
graduate students) the opportunity to present their work and dive
into discussions with each other, but also the "older experts" of
the field to gain valuable feedback from academic as well as
industrial colleagues. Oral and poster contributions are welcome
from all areas of molecular modelling – from the life sciences,
computational biology and chemistry, cheminformatics, to materials
sciences. <br>
<br>
The conference is organized by the German Section of the Molecular
Graphics and Modelling Society (MGMS-DS e.V.). <br>
<br>
####### Plenary Speakers ####### <br>
We are very happy to announce that three distinguished researchers
accepted our invitation to present a plenary lecture at the 38th
MMWS: <br>
<br>
Jonathan Essex, Southampton, UK <br>
Antonella DiPizio, Munich, Germany <br>
Vlad Cojocaru, Babes Bolyai, Romania <br>
<br>
####### Poster and Lecture Awards ####### <br>
As in the past years, there will be poster and lecture awards for
the best student contributions. <br>
<br>
####### Deadlines ####### <br>
Abstract submission deadline is Februrary 22th, 2026. <br>
General registration deadline is March 1st, 2026. <br>
<br>
The MGMS-DS e.V. offers a limited number of student travel
bursaries. <br>
<br>
We are looking forward to meeting you in Erlangen! <br>
<br>
Petra Imhof, President of the MGMS-DS e.V. (<a
class="moz-txt-link-freetext" href="http://www.mgms-ds.de"
moz-do-not-send="true">http://www.mgms-ds.de</a>) <br>
Anselm Horn, Scientific Committee Workshop Organisation 2026 <br>
<br>
<a class="moz-txt-link-freetext" href="http://mmws2026.mgms-ds.de"
moz-do-not-send="true">http://mmws2026.mgms-ds.de</a> <br>
<pre class="moz-signature" cols="72">--
PD Dr. rer. nat. Harald Lanig (Dipl.-Chem.)
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Zentrum für Nationales Hochleistungsrechnen Erlangen (NHR@FAU)
NHR@FAU Geschäftsstelle am Regionalen Rechenzentrum Erlangen (RRZE)
Martensstrasse 1, 91058 Erlangen, Germany
<a class="moz-txt-link-abbreviated moz-txt-link-freetext"
href="mailto:har...@fa..." moz-do-not-send="true">har...@fa...</a> - hpc.fau.de</pre>
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From: Jarrett J. <jar...@sc...> - 2025-11-18 19:40:03
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Hi Lei, Due to recent changes that were made, all PyMOL Incentive versions prior to 2.5.10 were removed from the schrodinger conda channel and our website. Best, Jarrett J. On Tue, Nov 18, 2025 at 11:28 AM Lei Qian <lei...@ou...> wrote: > Dear users, > > I plan to install pymol=2.4.1 and rigimol=1.3 in a conda env (python 3.8) > in ubuntu. > > However, because this 2.4.1 version is very old, it is hard to install > this pymol version using command: conda install -c schrodinger pymol. > > I found the rigimol-1.5-h3fd9d12_2.tar.bz2 for rigimol installation in > conda, although it still does not match rigimol 1.3. So I would like to > know if is possible to find the tar.bz2 file of pymol 2.4.1, and where to > find such tar.bz2 file of pymol 2.4.1 > > I would appreciate it if you could offer some suggestions. > > Thanks! > > Lei > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pym...@li... > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > -- *Jarrett Johnson* | Staff Developer, PyMOL |
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From: Lei Q. <lei...@ou...> - 2025-11-18 16:35:10
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Dear users, I plan to install pymol=2.4.1 and rigimol=1.3 in a conda env (python 3.8) in ubuntu. However, because this 2.4.1 version is very old, it is hard to install this pymol version using command: conda install -c schrodinger pymol. I found the rigimol-1.5-h3fd9d12_2.tar.bz2 for rigimol installation in conda, although it still does not match rigimol 1.3. So I would like to know if is possible to find the tar.bz2 file of pymol 2.4.1, and where to find such tar.bz2 file of pymol 2.4.1 I would appreciate it if you could offer some suggestions. Thanks! Lei |
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From: Lei Q. <lei...@ou...> - 2025-11-18 16:27:09
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Dear users, I plan to install pymol=2.4.1 and rigimol=1.3 in a conda env (python 3.8) in ubuntu. However, because this 2.4.1 version is very old, it is hard to install this pymol version using command: conda install -c schrodinger pymol. I found the rigimol-1.5-h3fd9d12_2.tar.bz2 for rigimol installation in conda, although it still does not match rigimol 1.3. So I would like to know if is possible to find the tar.bz2 file of pymol 2.4.1, and where to find such tar.bz2 file of pymol 2.4.1 I would appreciate it if you could offer some suggestions. Thanks! Lei |
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From: Colin D. <Col...@uw...> - 2025-11-04 11:51:04
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PyMol 3 Am using the mutagenesis wizard to investigate rotamers for an aa change. I can save each rotamer as a scene in the Scenes sidebar and they appear there as the correct rotamer with clashes, etc as in the main window. I can also add them to the timeline but the movie just shows the original unchanged aa. Is there a way of creating a movie illustrating the various states? |