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SVN archive Commit Log


Commit Date  
[r9040] by bugman

Rewrote how the Xplor NOE restraints are read.

Two new functions, first_parse() and second_parse() have been written to first extract all assign
statements and then handle pseudoatoms.

2009-05-06 15:03:00 Tree
[r9039] by bugman

Added pseudoatom support to the parse_noe_restraints() function.

2009-05-06 14:50:13 Tree
[r9038] by bugman

Fixes for the NOE restraint system tests.

2009-05-06 11:52:18 Tree
[r9037] by bugman

Added a system test for the reading of the Xplor pseudoatom data.

2009-05-06 08:55:04 Tree
[r9036] by bugman

Added an Xplor NOE restraint file fragment with a methyl group.

2009-05-06 08:50:56 Tree
[r9035] by bugman

Added support for multiple paramagnetic centre extraction to the centre() function.

2009-04-29 09:23:36 Tree
[r9034] by bugman

Added the ave_pos flag to the pcs.centre() user function.

2009-04-29 09:10:20 Tree
[r9033] by bugman

Some more fixes for the centre() function.

This should now be fully debugged!

2009-04-29 09:01:49 Tree
[r9032] by bugman

The lanthanide atoms are now loaded into the relax data store for the lactose N-state model test.

2009-04-29 08:57:31 Tree
[r9031] by bugman

Fixed a bug introduced at r9023.

The spin position was being assumed to be a list of numpy arrays, but in some cases it was simply a
numpy array.

2009-04-29 08:41:43 Tree
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