Re: Ca trace only

From: Sergio Anis (
Date: Wed Jul 20 2005 - 06:52:05 CDT

hi Shirley; try
 [] regards, Sergio

----- Original Message ----- From: Shirley Hui []
Sent: 7/19/2005 4:37:11 PM To: Subject: namd-l: Ca trace only

I was wondering if it is possible to given only the Ca trace backbone coordinates
of a protein structure to guess the missing N, C, O coordinates along the backbone?
I tried with psfgen, but it doesn't work.
Is it possible to minimize a protein structure using NAMD with just the Ca coordinates?
I didn't think so because I can't even create a proper psf file with just those
coordinates and I know the psf file is required for NAMD. thanks for any insight.


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