Commit | Date | |
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[r2767]
by
varioustoxins
ported r2634,r2636 & r2716 to the test-suite branch, corrected commands used these changes add the ieee-754 nan/inf code and nan catching from branch 1.3 |
2006-11-07 22:59:35 | Tree |
2006-11-07 22:53:05 | Tree | |
2006-11-07 05:52:16 | Tree | |
[r2764]
by
bugman
Added extra atoms to the 'AXS' residue of the tensor PDB representation for labelling. Two or six extra atoms are added for the spheroid and ellipsoid axes respectively. These are set to The code for generating the PDB chemical formula in 'self.write_pdb_file()' was modified to handle The PyMOL user function 'pymol.tensor_pdb()' has been modified to use the new representation. The |
2006-11-07 05:51:20 | Tree |
[r2763]
by
bugman
'pymol.tensor_pdb()' has been modified to change the representation of 'COM', 'AXS', and 'SIM'. The centre of mass 'COM' is shown as the 'dots' representation and is coloured blue. The diffusion tensor axes 'AXS' are shown as the 'sticks' representation, is coloured cyan, and the The Monte Carlo simulations axes are coloured cyan. |
2006-11-07 05:50:05 | Tree |
[r2762]
by
bugman
Added a description of the 4 residues 'COM', 'TNS', 'AXS', and 'SIM' to 'pdb.create_tensor_pdb()'. |
2006-11-07 05:47:44 | Tree |
2006-11-07 05:46:20 | Tree | |
[r2760]
by
bugman
Monte Carlo simulations are now included in the diffusion tensor PDB representation. If Monte Carlo simulations exist and the diffusion tensor parameters were allowed to vary then the The code for generating the 'AXS' residues has been shifted from 'self.create_tensor_pdb()' into the |
2006-11-07 05:44:04 | Tree |
[r2759]
by
bugman
Preparation of the other functions for automatically generating diffusion tensor data objects. All the other functions (vs. the previous commit) have been prepared to return either the real value |
2006-11-07 05:34:08 | Tree |
[r2758]
by
bugman
Simplification of the functions for automatically generating diffusion tensor data objects. The following functions have been coalesced into their non-simulation counterparts: |
2006-11-07 05:33:18 | Tree |