Hi Miriam! If it’s not a trajectory, you can use the “pdbSegment” attribute in Chimera, for example sel :1@N/pdbSegment=A sel @/pdbSegment=E The SEGID is supposed to be left-justified in columns 73-76, as in the attached example file test.pdb. An alternative (which also works for a trajectory) is to use the atom serial number, for example sel @/serialNumber=684 I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Nov 12, 2017, at 1:37 PM, Miriam Gochin <miriam.gochin@tu.edu> wrote:
I am wondering if it is possible in Chimera to select between different chains in a multimer that are defined by the SEGID parameter in XPLOR. This appears on columns 77-80 of the PDB file, e.g. in this homotrimer:
ATOM 1 N GLN 1 -2.276 -27.488 29.307 1.00 0.00 A ... ATOM 684 N GLY 1 4.365 -26.465 20.200 1.00 0.00 C --- ATOM 1357 N GLN 1 13.798 -26.207 29.441 1.00 0.00 E ...
Atom selection results in picking up 3 atoms instead of 1, since Chimera expects the chain designation after the residue name. The XPLOR output is therefore not compatible with Chimera input requirements and I am wondering if there is a workaround.
Many thanks for any suggestions. --------------------------------- Miriam Gochin Touro University California miriam.gochin@tu.edu 707-638-5463