URL:
<http://gna.org/bugs/?21814>
Summary: PDB file format
Project: relax
Submitted by: None
Submitted on: Tue 18 Mar 2014 05:36:02 PM UTC
Category: None
Specific analysis category: Model-free analysis
Priority: 5 - Normal
Severity: 3 - Normal
Status: None
Assigned to: None
Originator Name: Stefano Ciurli
Originator Email: stefano.ciurli@xxxxxxxx
Open/Closed: Open
Release: 3.1.7
Discussion Lock: Any
Operating System: Mac OS X (Intel)
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Details:
Hi,
I tried to upload different PDB files, made using MODELLER in order to attach
a protein fragment at the C-terminus that is not visible in the crystal
structure that we published some years ago as 1EAR. I tried them all but with
no luck.
Wouldn't it be nice if relax could read just the atomic positions disregarding
the headers, unless it already does so?
The hadded_2 is the crystal structure with protons added. This is another
problem: adding protons to crystal structures, which software do you suggest?
Stefano
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File Attachments:
-------------------------------------------------------
Date: Tue 18 Mar 2014 05:36:02 PM UTC Name: SpUreE_dimer_H_new.pdb Size:
409kB By: None
<http://gna.org/bugs/download.php?file_id=20385>
-------------------------------------------------------
Date: Tue 18 Mar 2014 05:36:02 PM UTC Name: hadded_2.pdb Size: 236kB By:
None
<http://gna.org/bugs/download.php?file_id=20386>
-------------------------------------------------------
Date: Tue 18 Mar 2014 05:36:02 PM UTC Name: SpUreE_dimer_H.pdb Size: 377kB
By: None
<http://gna.org/bugs/download.php?file_id=20387>
_______________________________________________________
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<http://gna.org/bugs/?21814>
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[bug #21814] PDB file format