From: Marc S. <mar...@gm...> - 2003-07-11 10:24:46
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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 | Message: 3 | From: "Warren L. DeLano" <wa...@de...> | To: <pym...@li...> | Date: Thu, 10 Jul 2003 12:40:23 -0700 | Subject: [PyMOL] New Map Formats Coming... | | PyMOLers, | | In response to user requests, I have added support for BRIX ("O" maps) | and FLD (AVS Field) map formats in the current development version. | Are there any other map formats which people would use heavily if PyMOL | were able to support them? APBS Open DX? See http://agave.wustl.edu/apbs/ Molmol mol ? - -- Bye, Marc Saric http://www.marcsaric.de -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org iD8DBQE/DeVkvKxJUF29wRIRAoimAKDQ6dhP2JOMJvzj8kiKi8uzGYGzbACfbl2F U4XXR1OVPgMJKnn2Yj9gKK4= =qSfe -----END PGP SIGNATURE----- |
From: Brian C. <ch...@sc...> - 2003-07-13 02:45:03
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Warren, While you're adding support for new formats, I urge you to consider adding support for the UHBD grid format. There is example C code that comes with the UHBD distribution for reading and writing UHBD grids. I'm not sure how easy it is to get the source distribution for UHBD at this point. If you would like the files, let me know and I will e-mail them to you. Thanks, Brian | Message: 3 | From: "Warren L. DeLano" <wa...@de...> | To: <pym...@li...> | Date: Thu, 10 Jul 2003 12:40:23 -0700 | Subject: [PyMOL] New Map Formats Coming... | | PyMOLers, | | In response to user requests, I have added support for BRIX ("O" maps) | and FLD (AVS Field) map formats in the current development version. | Are there any other map formats which people would use heavily if PyMOL | were able to support them? ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Brian R. Chapados The Scripps Research Institute PHONE: (858)784-2806 Molecular Biology, Rm. MB104, MB4 FAX: (858)784-2277 10550 N. Torrey Pines Road E-MAIL: ch...@sc... La Jolla, CA 92037 USA ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ |
From: Kaushik R. <kx...@ps...> - 2003-07-14 19:35:02
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Hi, Is it possible to calculate and display a difference phi map between two electrostatic potential maps using PyMOL? Both the maps are created by Delphi and can be displayed in PyMOL. Kaushik. On Saturday, July 12, 2003, at 09:20 PM, Brian Chapados wrote: > Warren, > > While you're adding support for new formats, I urge you to consider > adding > support for the UHBD grid format. There is example C code that comes > with > the UHBD distribution for reading and writing UHBD grids. I'm not sure > how easy it is to get the source distribution for UHBD at this point. > If > you would like the files, let me know and I will e-mail them to you. > > Thanks, > > Brian > > | Message: 3 > | From: "Warren L. DeLano" <wa...@de...> > | To: <pym...@li...> > | Date: Thu, 10 Jul 2003 12:40:23 -0700 > | Subject: [PyMOL] New Map Formats Coming... > | > | PyMOLers, > | > | In response to user requests, I have added support for BRIX ("O" > maps) > | and FLD (AVS Field) map formats in the current development version. > > | Are there any other map formats which people would use heavily if > PyMOL > | were able to support them? > > > ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ > Brian R. Chapados > > The Scripps Research Institute PHONE: (858)784-2806 > Molecular Biology, Rm. MB104, MB4 FAX: (858)784-2277 > 10550 N. Torrey Pines Road E-MAIL: ch...@sc... > La Jolla, CA 92037 USA > > ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ > > > > > > > > ------------------------------------------------------- > This SF.Net email sponsored by: Parasoft > Error proof Web apps, automate testing & more. > Download & eval WebKing and get a free book. > www.parasoft.com/bulletproofapps1 > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users > |
From: Jules J. <jo...@he...> - 2003-07-11 11:09:47
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> | From: "Warren L. DeLano" <wa...@de...> > | To: <pym...@li...> > | Date: Thu, 10 Jul 2003 12:40:23 -0700 > | Subject: [PyMOL] New Map Formats Coming... > | > | PyMOLers, > | > | In response to user requests, I have added support for BRIX ("O" maps) > | and FLD (AVS Field) map formats in the current development version. > > | Are there any other map formats which people would use heavily if PyMOL > | were able to support them? > I just remembered, MOLMOL does some sort of surface potential calculation which it writes out as a tt.pot file which is realy easy, free and multi platform. Trying to get molmol to then apply this potential is not so easy. If PyMOL could read this then the 'endianness' may not be a problem as the data would just be transferable within the same OS. Ref (from MolMol help file): Nicholls, A, Honig, B. A rapid finite difference algorithm, utilizing successive over-relaxation to solve the Poisson-Bolzmann equation. Journal of Computational Chemistry, 12 (1990) 435-445 Jules |