Re: [PyMOL] Very strange problem

2012-07-23 Thread Jason Vertrees
Hi Malai, Thanks for bringing this to our attention. The file you sent does have a TER record (which separates chains) but it went ahead and re-declared chain A. This confused PyMOL. You can easily correct this by forcing PyMOL to start a new model. Just insert, ENDMDL on line 4379 of your file.

Re: [PyMOL] Very strange problem

2012-07-23 Thread Eric Larson
Sorry for the double post. Forgot to change the subject line in the last and also pasted the wrong link... Anyway, check for discontinuous SEGIDs and here is the old thread. http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg07683.html Eric On Jul 23, 2012 6:32 AM, "Eric Larson" w

Re: [PyMOL] PyMOL-users Digest, Vol 74, Issue 11

2012-07-23 Thread Eric Larson
Hi Malai, Do you happen to have values in the SEGID column of your pdb file? If so, simply delete them. Not sure if pymol still behaves the same but this used to cause problems with cartoon rendering. See this old post: http://www.google.com/search?hl=en&redir_esc=&client=ms-android-verizon&sou

Re: [PyMOL] selecting atoms around a ligand in a protein structure

2012-07-23 Thread Thomas Holder
Hi Anasuya, "br." is short for "byres" (by residue). So just drop that from your selection expression. select site, (resn FAD and chain A and resi 45) around 4.5 and not HET Cheers, Thomas Anasuya Dighe wrote, On 07/23/12 09:00: > Hi Pymol-users, > > I need to select only the atoms [and NO

[PyMOL] selecting atoms around a ligand in a protein structure

2012-07-23 Thread Anasuya Dighe
Hi Pymol-users, I need to select only the atoms [and NOT complete amino acid residues] which are lying in a radius of 4.5 Angstroms from the ligand from a ligand-bound protein structure. I am aware that the command: select site, br. resn FAD and chain A and resi 45 around 4.5 and not HETselect