Commit | Date | |
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2009-01-15 19:10:18 | Tree | |
2009-01-15 19:08:40 | Tree | |
[r8490]
by
semor
Corrected the way the scaling matrix is assembled. This is as proposed by Ed in a post at: The scaling values are now based on the default values for the different parameters which were The only parameter for which the average is still used (as for intensities in the 'relax_fit.py' |
2009-01-15 18:58:07 | Tree |
2009-01-15 17:47:49 | Tree | |
2009-01-15 17:46:43 | Tree | |
2009-01-15 17:42:02 | Tree | |
[r8486]
by
bugman
Added an amino acid translation table for determining elements from PDB atom names. |
2009-01-15 17:41:28 | Tree |
[r8485]
by
bugman
The internal PDB reader now has rudimentary support for element determination if that column is missing. |
2009-01-15 17:30:08 | Tree |
[r8484]
by
bugman
Bug fixes for the non-protein and non-RNA Scientific python molecules. A new MolContainer list-type class has been added to store the molecules. |
2009-01-15 17:03:36 | Tree |
[r8483]
by
bugman
Bug fix for the load_pdb() method. Molecules other than proteins and RNA are now correctly stored and their type set in mol_type. |
2009-01-15 16:37:00 | Tree |