Menu

SVN archive Commit Log


Commit Date  
[r8596] by bugman

Fixes for the cone_pdb() method for the new structural data design.

2009-01-22 15:01:16 Tree
[r8595] by bugman

Fixes for generate_vector_dist(), generate_vector_residues(), and stitch_cap_to_cone().

These now handle the MolContainer instance.

2009-01-22 14:54:08 Tree
[r8594] by bugman

Modified create_diff_tensor_pdb() for the new structural data design.

2009-01-22 14:48:45 Tree
[r8593] by bugman

A large number of fixes for the write_pdb() method.

It can now handle the new structural data design.

2009-01-22 14:45:02 Tree
[r8592] by bugman

Updated mf_csa.py to the 1.2.10 branched ellipsoidal CS tensor code.

This code comes from Pavel Kaderavek <kada att chemi dot muni dot cz> and is located at
https://www.ncbr.chemi.muni.cz/~kada/relax-1.2.10_cst.tar.

2009-01-22 14:03:36 Tree
[r8591] by bugman

Created, by 'svn cp', the mf_csa module.

2009-01-22 14:02:59 Tree
[r8590] by bugman

Copyright updates.

2009-01-22 14:01:11 Tree
[r8589] by bugman

Fixes for create_vector_dist() for the new structural data design.

The atoms are added to the single molecule, and the struct_index has been eliminated.

2009-01-22 13:59:41 Tree
[r8588] by bugman

Fix for the Internal.add_molecule() method.

The orig_mol_num structure must be a list!

2009-01-22 13:56:15 Tree
[r8587] by bugman

Docstring fix for pack_structs().

2009-01-22 13:54:21 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.