pymol-users-ad...@lists.sourceforge.net wrote on 01/19/2006 06:55:11 AM: > Hi there, > > i have the following problem: selecting all ca atoms in chain A of 1ao0 > the amino acids in the selection are disordered with respect to their > occurrence in the protein. > (snip) > > So the 56th amino acid is BEFORE the first one. Whats going wrong? > > Thanks: > > Frank >
Hi Frank - Residue 56 in 1AO0 has occupancy 0 (in chains A and B). I'm sure that's causing a problem, but I don't know why it ends up at the front of the list. Residues 429-430 in chain B are also occupancy 0 - what do you see if you run your script on chain B? - Matt -- Matthew Franklin phone:(917)606-4116 Senior Scientist, ImClone Systems fax:(212)645-2054 180 Varick Street, 6th floor New York, NY 10014 Confidentiality Note: This e-mail, and any attachment to it, contains privileged and confidential information intended only for the use of the individual(s) or entity named on the e-mail. If the reader of this e-mail is not the intended recipient, or the employee or agent responsible for delivering it to the intended recipient, you are hereby notified that reading it is strictly prohibited. If you have received this e-mail in error, please immediately return it to the sender and delete it from your system. Thank you.
