Re: [PyMOL] apply spectrum per MODEL in PyMOL script
Hello, On 13/11/13 07:27, Jordan Willis wrote: rather :) colors = [‘red’,’blue’] fetch 1nmr, discrete=1, async=0 as ribbon set all_states for model,color in zip(range(cmd.count_states()),colors): cmd.color(str(color), state %s % x) I guess something is wrong on my side because I cannot reproduce the samples. Whatever, I got what I wanted with split_states : --8--- load dummy.pdb, dum split_states dum disable all spectrum count, rainbow, selection=dum_0001, byres=1 spectrum count, rainbow_cycle, selection=dum_0002, byres=1 spectrum count, rainbow, selection=dum_0003, byres=1 spectrum count, rainbow_cycle, selection=dum_0004, byres=1 -8 then I can enable with my favourite mouse. Thanks for your hints, they help me to realize that PyMOL is more powerful than I initially thought. Jerome On Nov 13, 2013, at 12:23 AM, Jordan Willis jwillis0...@gmail.com mailto:jwillis0...@gmail.com wrote: zip it like this colors = [‘red’,’blue’] fetch 1nmr, discrete=1, async=0 as ribbon set all_states for color, model in zip(range(cmd.count_states()),colors): cmd.color(str(color), state %s % x) On Nov 12, 2013, at 11:32 PM, Jerome BENOIT g62993...@rezozer.net mailto:g62993...@rezozer.net wrote: Hello Jason, thanks for your hint. Unfortunately, I can not produce what I want: Let assume that I read a local PDB file with different MODELS and I would like to colour the first model in red, the senond in blue: what would be the MPL script coaamnd ? Thanks in advance, Jerome On 11/11/13 19:17, Jason Vertrees wrote: Hi Jerome, fetch 1nmr, discrete=1, async=0 as ribbon set all_states for x in range(cmd.count_states()): cmd.color(str(x), state %s % x) You can substitute the spectrum command for the color command. Cheers, --- Jason On Sat, Nov 9, 2013 at 8:54 PM, Jerome BENOIT g62993...@rezozer.net mailto:g62993...@rezozer.net wrote: Hello List, is there a way in PML script to apply a specific spectrum to each MODEL (as define in PDB data file) ? Thanks in advance, Jerome -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net mailto:PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net mailto:PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
Re: [PyMOL] apply spectrum per MODEL in PyMOL script
Hello Jason, thanks for your hint. Unfortunately, I can not produce what I want: Let assume that I read a local PDB file with different MODELS and I would like to colour the first model in red, the senond in blue: what would be the MPL script coaamnd ? Thanks in advance, Jerome On 11/11/13 19:17, Jason Vertrees wrote: Hi Jerome, fetch 1nmr, discrete=1, async=0 as ribbon set all_states for x in range(cmd.count_states()): cmd.color(str(x), state %s % x) You can substitute the spectrum command for the color command. Cheers, --- Jason On Sat, Nov 9, 2013 at 8:54 PM, Jerome BENOIT g62993...@rezozer.net wrote: Hello List, is there a way in PML script to apply a specific spectrum to each MODEL (as define in PDB data file) ? Thanks in advance, Jerome -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
Re: [PyMOL] apply spectrum per MODEL in PyMOL script
zip it like this colors = [‘red’,’blue’] fetch 1nmr, discrete=1, async=0 as ribbon set all_states for color, model in zip(range(cmd.count_states()),colors): cmd.color(str(color), state %s % x) On Nov 12, 2013, at 11:32 PM, Jerome BENOIT g62993...@rezozer.net wrote: Hello Jason, thanks for your hint. Unfortunately, I can not produce what I want: Let assume that I read a local PDB file with different MODELS and I would like to colour the first model in red, the senond in blue: what would be the MPL script coaamnd ? Thanks in advance, Jerome On 11/11/13 19:17, Jason Vertrees wrote: Hi Jerome, fetch 1nmr, discrete=1, async=0 as ribbon set all_states for x in range(cmd.count_states()): cmd.color(str(x), state %s % x) You can substitute the spectrum command for the color command. Cheers, --- Jason On Sat, Nov 9, 2013 at 8:54 PM, Jerome BENOIT g62993...@rezozer.net wrote: Hello List, is there a way in PML script to apply a specific spectrum to each MODEL (as define in PDB data file) ? Thanks in advance, Jerome -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
Re: [PyMOL] apply spectrum per MODEL in PyMOL script
rather :) colors = [‘red’,’blue’] fetch 1nmr, discrete=1, async=0 as ribbon set all_states for model,color in zip(range(cmd.count_states()),colors): cmd.color(str(color), state %s % x) On Nov 13, 2013, at 12:23 AM, Jordan Willis jwillis0...@gmail.com wrote: zip it like this colors = [‘red’,’blue’] fetch 1nmr, discrete=1, async=0 as ribbon set all_states for color, model in zip(range(cmd.count_states()),colors): cmd.color(str(color), state %s % x) On Nov 12, 2013, at 11:32 PM, Jerome BENOIT g62993...@rezozer.net wrote: Hello Jason, thanks for your hint. Unfortunately, I can not produce what I want: Let assume that I read a local PDB file with different MODELS and I would like to colour the first model in red, the senond in blue: what would be the MPL script coaamnd ? Thanks in advance, Jerome On 11/11/13 19:17, Jason Vertrees wrote: Hi Jerome, fetch 1nmr, discrete=1, async=0 as ribbon set all_states for x in range(cmd.count_states()): cmd.color(str(x), state %s % x) You can substitute the spectrum command for the color command. Cheers, --- Jason On Sat, Nov 9, 2013 at 8:54 PM, Jerome BENOIT g62993...@rezozer.net wrote: Hello List, is there a way in PML script to apply a specific spectrum to each MODEL (as define in PDB data file) ? Thanks in advance, Jerome -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- DreamFactory - Open Source REST JSON Services for HTML5 Native Apps OAuth, Users, Roles, SQL, NoSQL, BLOB Storage and External API Access Free app hosting. Or install the open source package on any LAMP server. Sign up and see examples for AngularJS, jQuery, Sencha Touch and Native! http://pubads.g.doubleclick.net/gampad/clk?id=63469471iu=/4140/ostg.clktrk___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
Re: [PyMOL] apply spectrum per MODEL in PyMOL script
Hi Jerome, fetch 1nmr, discrete=1, async=0 as ribbon set all_states for x in range(cmd.count_states()): cmd.color(str(x), state %s % x) You can substitute the spectrum command for the color command. Cheers, --- Jason On Sat, Nov 9, 2013 at 8:54 PM, Jerome BENOIT g62993...@rezozer.net wrote: Hello List, is there a way in PML script to apply a specific spectrum to each MODEL (as define in PDB data file) ? Thanks in advance, Jerome -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Jason Vertrees, PhD Director of Core Modeling Products Schrödinger, Inc. (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
[PyMOL] apply spectrum per MODEL in PyMOL script
Hello List, is there a way in PML script to apply a specific spectrum to each MODEL (as define in PDB data file) ? Thanks in advance, Jerome -- November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231iu=/4140/ostg.clktrk ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
