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Commit Date  
[r8732] by bugman

The read_mol arg now does something in load_pdb()!!!

2009-02-04 16:24:47 Tree
[r8731] by bugman

Added error checking to load_pdb() for when the number of molecules exceeds the set_mol_name list.

2009-02-04 16:22:38 Tree
[r8730] by bugman

Another fix for the load_pdb() method.

The mol_offset value should be calculated at all times!

2009-02-04 16:22:01 Tree
[r8729] by bugman

More fixes for load_pdb().

Collapsing 2 models into 1 was failing.

2009-02-04 15:16:25 Tree
[r8728] by bugman

Fixes for the load_pdb() method.

Previously loaded structures were not being taken into account.

2009-02-04 14:55:49 Tree
[r8727] by bugman

Fixes for the test_read_pdb_mol_2_model_scientific() system test.

The Scientific python PDB reader somehow decided to split the single structures in
'lactose_MCMM4_S1_*.pdb' into 2.

2009-02-04 09:51:40 Tree
[r8726] by bugman

Bug fix for the load_pdb() method.

When set_model_num is None, this is now handled properly.

2009-02-04 09:37:40 Tree
[r8725] by bugman

Duplicated 5 systems tests of the internal PDB reader for the Scientific python PDB reader.

2009-02-04 09:33:25 Tree
[r8724] by semor

A small fix to the system test.

However, is this fix the solution or is there something wrong with the reading of data (such as
'R2eff') by relax_data.read() ?

Shouldn't the data, for example 'R2eff', be available in 'cdp.mol[0].res[0].spin[0].R2eff_val[0]'
or 'cdp.mol[0].res[0].spin[0].R2eff[0]' for the 1st spin of the 1st residue in the 1st molecule ?

2009-02-03 23:27:26 Tree
[r8723] by bugman

Wrote 2 new system tests for the new structural data design.

In test_read_pdb_internal6(), 2 different structures are loaded as 2 molecules. In
test_read_pdb_internal7(), 2 identical structures are loaded as 2 molecules.

2009-02-03 17:05:58 Tree
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