VMD-L Mailing List
From: Kelly Leung (kelly.w.leung_at_go.wustl.edu)
Date: Tue Jun 15 2010 - 10:35:38 CDT
- Next message: Axel Kohlmeyer: "Re: topotools"
- Previous message: Axel Kohlmeyer: "Re: top2psf.tcl"
- Next in thread: Peter Freddolino: "Re: AutoPSF deleting residues"
- Reply: Peter Freddolino: "Re: AutoPSF deleting residues"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hello,
I recently ran AutoPSF for phycocyanin (2VJT on the RCSB protein data bank),
complete with the toppar files for the residue MEN (n-methyl asparagine and
CYC (phycocyanobilin).
The output pdb file is missing one of the CYCs (The file directly downloaded
from RCSB has two CYCs, the one resulting from AutoPSF only has one) and I
can't determine why. Could it be a matter of chirality?
-- Kelly Wai-Wah Leung Energy, Environmental, & Chemical Engineering Washington University in St. Louis '12 Campus Box 3787, 6515 Wydown Blvd, St. Louis, MO 63105. 847.840.3412 | kelly.w.leung_at_go.wustl.edu
- Next message: Axel Kohlmeyer: "Re: topotools"
- Previous message: Axel Kohlmeyer: "Re: top2psf.tcl"
- Next in thread: Peter Freddolino: "Re: AutoPSF deleting residues"
- Reply: Peter Freddolino: "Re: AutoPSF deleting residues"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]