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Bug#: 162012
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Status: RESOLVED
Resolution: FIXED
Assigned To: Jeffrey Gardner <je_fro@gentoo.org>
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Reporter: Jeffrey Gardner <je_fro@gentoo.org>
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Description:   Opened: 2007-01-14 09:58 0000 
Summary says it all, pdb2pqr has been stable since its addition.
You can test it out by downloading a pdb file such as:
http://www.rcsb.org/pdb/download/downloadFile.do?fileFormat=pdb&compression=NO&structureId=1SG5

and point pdb2pqr at it like so:

$ pdb2pqr --ff=charmm 1SG5.pdb 1SG5.pqr

You'll see that the last 2 columns of the pdb file have changed to show charge
and radius information.

Thanks!
je_fro

------- Comment #1 From Jeffrey Gardner 2007-01-14 09:59:24 0000 ------- 
Adding x86, amd64...

------- Comment #2 From Christian Faulhammer 2007-01-17 10:25:11 0000 ------- 
x86 stable

------- Comment #3 From Simon Stelling (RETIRED) 2007-02-06 13:49:02 0000 ------- 
amd64 stable
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