Bugs item #2904697, was opened at 2009-11-26 16:16
Message generated for change (Tracker Item Submitted) made by ghutchis
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Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Geoff Hutchison (ghutchis)
Assigned to: Nobody/Anonymous (nobody)
Summary: Atom labels for standard residues not output
Initial Comment:
From the mailing list
- When I save a built peptide as PDB, the atoms don’t have the expected names i.e. CA, CB, HG12, ND2 …
It is vital that they do. Quantum chemistry packages haven’t previously been interested in these, but will soon do so. Quantum Chemistry on GPU (TeraChem) will take PDBs directly as input, and residue atom names will not be lost.
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