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SVN archive Commit Log


Commit Date  
[r6718] by bugman

Fixed the creation of the MASTER record.

2008-07-05 00:01:44 Tree
[r6717] by bugman

Fixed the creation of the CONECT record, really this time!

2008-07-04 23:57:38 Tree
[r6716] by bugman

Fix for the atom_connect() method and the creation of the CONECT record.

The atom_connect() method was modified to only append the atom index if it wasn't already in the
bonded list. The CONECT record now uses the atom numbers and not atom indecies.

2008-07-04 23:48:08 Tree
[r6715] by bugman

Fixed the creation of the CONECT records.

2008-07-04 23:24:13 Tree
[r6714] by bugman

Fixed the creation of the ATOM, HETATM, and TER records.

2008-07-04 23:21:12 Tree
[r6713] by bugman

The index i was being overwritten in another place as well.

2008-07-04 23:11:06 Tree
[r6712] by bugman

Fix for the creation of the het_atom data structure.

The index i was being overwritten!

2008-07-04 23:10:15 Tree
[r6711] by bugman

Fixed the creation of the FORMUL record.

2008-07-04 23:05:10 Tree
[r6710] by bugman

Fix for the creation of the HETNAM record. The None description value is replaced by 'Unknown'.

2008-07-04 23:02:39 Tree
[r6709] by bugman

Modified the __get_chemical_name() to handle unidentifiable residue names.

2008-07-04 22:59:20 Tree
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