Re: [PyMOL] apply spectrum per MODEL in PyMOL script

2013-11-12 Thread Jordan Willis
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 wrote: > zip it like this > > colors = [‘red’,’blue’] > fetch

Re: [PyMOL] apply spectrum per MODEL in PyMOL script

2013-11-12 Thread Jordan Willis
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 wrote: > Hello Jason, > > thanks for your hint. > > Un

Re: [PyMOL] apply spectrum per MODEL in PyMOL script

2013-11-12 Thread Jerome BENOIT
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:

Re: [PyMOL] rotate cell

2013-11-12 Thread Chandan Choudhury
Thanks Folmer for the response. The move command doesnot help. But I could see a command "turn" will does what I want. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Tue, Nov 12, 2013 at 1:25 PM, Folmer Fredslund wrote: > Dear Chandan, > > I think you want to use the "move" command

Re: [PyMOL] Secondary structure for C-alpha only and coarse-grained models

2013-11-12 Thread Abhinav Verma
Thanks a lot Tsjerk, It iw really going to be helpful. I will update you when I play with it. best, Abhi On Sat, Nov 9, 2013 at 12:46 PM, Tsjerk Wassenaar wrote: > > Hey :) > > I thought there was a post recently about showing secondary structure in > C-alpha only models. I can't find it anym

[PyMOL] Pymol sas

2013-11-12 Thread neshat haq
Hi, I could not find the the algorithm by which pymol calculates the solvent ASA. What I understood is that pymol adds the vdw radii of atom and probe, makes the sphere around the center of selected atoms, puts some dots and according to the density of dots it calculates the SASA. or it simply uses

Re: [PyMOL] Automatic mutation introduction

2013-11-12 Thread James Starlight
Thanks! I'll try all pf this possibilities- especially I'm interesting in Modeller because its 1) python-based and 2) produce suitable input for MD (fixing side-chains or loops missed in the X-ray input data) James 2013/11/11 Ron Jacak > Hi James, > > SCWRL is a good suggestion. You may also