RE: [gmx-users] how to edit pdb file

PROTECTED] [EMAIL PROTECTED] On Behalf Of Justin A. Lemkul [EMAIL PROTECTED] Sent: Wednesday, May 21, 2008 9:50 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] how to edit pdb file Quoting "Wei, Xiupeng" <[EMAIL PROTECTED]>: > Dear GMX users, > I ha

Re: [gmx-users] how to edit pdb file

Hi, Andrea As Xiupeng is on th side of using proprietory software, Xemacs would definitely be an overdose. Hi, Xiupeng All you need is to know is basic PDB file format. ATOM records in PDB file is in fixed-width column format. You need to format your line according to what said here. http://

Re: [gmx-users] how to edit pdb file

Quoting "Wei, Xiupeng" <[EMAIL PROTECTED]>: > Dear GMX users, > I have a basic question. I want to put two same box in x direction. > So I need increase the number of atoms and change their x coordinates,then > combine it with the original one. But the file created by Excel can't be > rec

Re: [gmx-users] how to edit pdb file

Copy file, editconf to translate, then concatenate that with the original, reorder and renumber everything; or genbox will also do something similar with less tinkering. - Original Message From: "Wei, Xiupeng" <[EMAIL PROTECTED]> To: "gmx-users@gromacs.org" Sent: Wednesday, May 21, 200

Re: [gmx-users] how to edit pdb file

Hi, have look to this: http://stein.bioch.dundee.ac.uk/~charlie/software/pdb-mode/pdb-mode.html I found it very useful regards andrea Wei, Xiupeng wrote: > Dear GMX users, > I have a basic question. I want to put two same box in x direction. > So I need increase the number of atoms a