PSFGEN

From: Wei Chen (gtg553p_at_mail.gatech.edu)
Date: Fri May 27 2005 - 15:10:30 CDT

• Next message: Brian Bennion: "libimf.so problems"
• Previous message: floquet_at_icsn.cnrs-gif.fr: "Multiple dihedral multiplicity"
• Next in thread: Pijush Ghosh: "RE: PSFGEN"
• Reply: Pijush Ghosh: "RE: PSFGEN"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi, all,

I try to generate psf file from 1IGT.pdb. But there are duplicate
resid in the pdb file, like:

ATOM 3039 N TYR B 100I
ATOM 3040 CA TYR B 100I
ATOM 3041 C TYR B 100I
ATOM 3042 O TYR B 100I
ATOM 3043 CB TYR B 100I
ATOM 3044 CG TYR B 100I
ATOM 3045 CD1 TYR B 100I
ATOM 3046 CD2 TYR B 100I
ATOM 3047 CE1 TYR B 100I
ATOM 3048 CE2 TYR B 100I
ATOM 3049 CZ TYR B 100I
ATOM 3050 OH TYR B 100I
ATOM 3051 H TYR B 100I
ATOM 3052 HH TYR B 100I
ATOM 3053 N ALA B 100J
ATOM 3054 CA ALA B 100J
ATOM 3055 C ALA B 100J
ATOM 3056 O ALA B 100J
ATOM 3057 CB ALA B 100J
ATOM 3058 H ALA B 100J
ATOM 3059 N MET B 100K
ATOM 3060 CA MET B 100K
ATOM 3061 C MET B 100K
ATOM 3062 O MET B 100K
ATOM 3063 CB MET B 100K
ATOM 3064 CG MET B 100K
ATOM 3065 SD MET B 100K
ATOM 3066 CE MET B 100K
ATOM 3067 H MET B 100K

When I used psfgen to generate psf file, only first residue could be kept.
So what can I do to generate all residues?

Thanks!

Wei Chen

--

• Next message: Brian Bennion: "libimf.so problems"
• Previous message: floquet_at_icsn.cnrs-gif.fr: "Multiple dihedral multiplicity"
• Next in thread: Pijush Ghosh: "RE: PSFGEN"
• Reply: Pijush Ghosh: "RE: PSFGEN"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:29 CST