From: Jason V. <jas...@sc...> - 2011-03-09 21:47:20
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Greetings, We're wrapping up our work for the PyMOL v1.4 release. A new Incentive PyMOL feature will be the ability to load and calculate maps from MTZ files. These files can be tricky to read for various reasons (endian issues, machine word size variance, etc). I would like to test my MTZ reader on various MTZ files new and old. If you have an MTZ file you'd like to share for testing, please email it directly to me (jas...@sc...) and I'll be sure we run it through our tests. Cheers, -- Jason -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) Jas...@sc... (o) +1 (603) 374-7120 |
From: Keitaro Y. <yam...@ca...> - 2011-03-09 23:56:13
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Dear Jason, I'm really excited about it. I'll send some MTZ files. BTW, I have two questions. Is map automatically extended around the view-center within some radius by crystallographic symmetry operations? Can other reflection formats be opened? For example, .hkl file that is generated by CNS 1.3 and contains map coefficients/phases. I'm very looking forward to PyMOL v1.4 release, Keitaro 2011/3/10 Jason Vertrees <jas...@sc...>: > Greetings, > > We're wrapping up our work for the PyMOL v1.4 release. A new > Incentive PyMOL feature will be the ability to load and calculate maps > from MTZ files. These files can be tricky to read for various reasons > (endian issues, machine word size variance, etc). I would like to > test my MTZ reader on various MTZ files new and old. If you have an > MTZ file you'd like to share for testing, please email it directly to > me (jas...@sc...) and I'll be sure we run it through > our tests. > > Cheers, > > -- Jason > > -- > Jason Vertrees, PhD > PyMOL Product Manager > Schrodinger, LLC > > (e) Jas...@sc... > (o) +1 (603) 374-7120 > > ------------------------------------------------------------------------------ > Colocation vs. Managed Hosting > A question and answer guide to determining the best fit > for your organization - today and in the future. > http://p.sf.net/sfu/internap-sfd2d > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... > |
From: Jason V. <jas...@sc...> - 2011-03-10 03:13:44
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Hi Keitaro, > Is map automatically extended around the view-center within some > radius by crystallographic symmetry operations? This feature won't be in the v1.4 release of PyMOL. It might however show up in a later update release. > Can other reflection formats be opened? > For example, .hkl file that is generated by CNS 1.3 and contains map > coefficients/phases. The code also supports CIF and CNS files, but those won't be fully functional until a later update release. > I'm very looking forward to PyMOL v1.4 release, Awesome--so am I! Cheers, -- Jason -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) Jas...@sc... (o) +1 (603) 374-7120 |
From: Maia C. <ch...@ua...> - 2011-03-14 18:02:04
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Hi Jason, I generated hbs from mode=2 method. It made some wrong hbs. How can I delete those wrong hbs? Maia |
From: Maia C. <ch...@ua...> - 2011-03-15 16:40:51
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Hi, Can anybody advise me what is the right command for selecting or coloring many hbs? Instead of color black, hb1 color black, hb2 etc I want something like color black, hb1+hb2+hb3 etc. Maia |
From: Marius R. <mar...@gm...> - 2011-03-15 16:44:47
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Hello Maia, Does this work? color black, hb* Marius On Tue, Mar 15, 2011 at 5:40 PM, Maia Cherney <ch...@ua...> wrote: > > Hi, > > Can anybody advise me what is the right command for selecting or > coloring many hbs? > > Instead of > color black, hb1 > color black, hb2 > etc > > I want something like color black, hb1+hb2+hb3 etc. > > Maia > > > ------------------------------------------------------------------------------ > Colocation vs. Managed Hosting > A question and answer guide to determining the best fit > for your organization - today and in the future. > http://p.sf.net/sfu/internap-sfd2d > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... > |
From: Maia C. <ch...@ua...> - 2011-03-15 18:53:19
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Thank you, Marius. Yes, it does. Marius Retegan wrote: > Hello Maia, > > Does this work? > color black, hb* > > Marius > > > On Tue, Mar 15, 2011 at 5:40 PM, Maia Cherney <ch...@ua... > <mailto:ch...@ua...>> wrote: > > > Hi, > > Can anybody advise me what is the right command for selecting or > coloring many hbs? > > Instead of > color black, hb1 > color black, hb2 > etc > > I want something like color black, hb1+hb2+hb3 etc. > > Maia > > ------------------------------------------------------------------------------ > Colocation vs. Managed Hosting > A question and answer guide to determining the best fit > for your organization - today and in the future. > http://p.sf.net/sfu/internap-sfd2d > _______________________________________________ > PyMOL-users mailing list (PyM...@li... > <mailto:PyM...@li...>) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: > http://www.mail-archive.com/pym...@li... > > |