[PyMOL] Scripting in Pymol (+)

2016-07-12 Thread James Starlight
Dear Pymol Users! Here I desice to continue my topic regarding scripting in Pymol; My current task: I have 1 X-ray structure of cythochrome-C with HEME residue embedded within the protein as a cofactor I have 10 snapshots of cythochrome-C from MD trajectory where HEME was not present explicitly

[PyMOL] ray command

2016-07-12 Thread Mohsen Chitsaz
Hi Pymol users, The "ray command" is not working in my Educational version of Pymol. It seems that educational version does not allow to use this command. Does anyone have a solution for this please? Your reply is very much appreciated. Cheers Mohsen ---

Re: [PyMOL] ray command

2016-07-12 Thread Tsjerk Wassenaar
Hi Mohsen, What happens? What error do you get? Best, Tsjerk On Jul 12, 2016 10:46 AM, "Mohsen Chitsaz" wrote: Hi Pymol users, The “ray command” is not working in my Educational version of Pymol. It seems that educational version does not allow to use this command. Does anyone have a sol

Re: [PyMOL] ray command

2016-07-12 Thread Tsjerk Wassenaar
Hi Mohsen, So raytracing is indeed not available in the educational version. I find this a bit strange, as I regarded the educational version the least-changed-with-respect-to-the-original (say 0.99), which did have raytracing available. Also, I like students to give me reports with pretty picture

[PyMOL] Structural matching of Side-chain selection

2016-07-12 Thread James Starlight
Dear pymol users! I need to estimate how the side-chains dynamics are differs in MD compared to X-ray structure. Assuming that I have 2 structures one from md and another from X-ray and I select Sidechains from the both as obj1 and obj02 select xray &! n. n+ca+c+o select md &! n. n+ca+c+o now tr