Ca trace only

From: Shirley Hui (shirleyhui_at_alumni.uwaterloo.ca)
Date: Tue Jul 19 2005 - 18:37:11 CDT

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Hi

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.

shirley

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