globsymm contacts

Global minimization programs: SASREF, CORAL, BUNCH, GLOBSYMM
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Hayds
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Posts: 103
Joined: 2008.05.21 19:01
Location: EMBL, Hamburg

globsymm contacts

#1 Post by Hayds » 2008.11.30 21:29

Hi gang,

what exactly is the string I need to enter (from the input pdb file) to define a contact in Globsymm?

At the prompt for the first atom of the pair do I enter an actual string:

eg. CA THR A
(directly from the PDB file)

Or, if this is the first CA in the file maybe just:

eg. 1

I'm pretty sure I don't enter a sasref-like term.

Anybody able to sort me out on this one?

Cheers,

Hayds

SaxsMax
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Joined: 2007.08.03 19:16

#2 Post by SaxsMax » 2009.02.19 10:56

In globsymm one needs to enter the string directly from the PDB file,
i.e. not Sasref-like

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