Commit | Date | |
---|---|---|
[r2927]
by
bugman
Spin systems can now be selected using boolean operators. The user functions 'select.res()' and 'select.read()' now accept the boolean keyword option which |
2006-12-08 02:21:49 | Tree |
[r2926]
by
bugman
The selection user functions which read data from a file now take header lines into account. |
2006-12-07 06:33:51 | Tree |
2006-12-07 06:20:05 | Tree | |
[r2924]
by
bugman
You can now specify a different column for residue numbers in the selection user functions. This affects both the 'select.read()' and 'unselect.read()' user functions. |
2006-12-07 06:17:29 | Tree |
[r2923]
by
bugman
Addition of the user function 'structure.vector_dist()'. This function will display the PDB representation of the XH vector distribution overlain over the |
2006-12-07 05:43:09 | Tree |
[r2922]
by
bugman
Created a symmetric chain 'B' in the PDB representation of the XH vector distribution. |
2006-12-07 04:34:34 | Tree |
[r2921]
by
bugman
Added the ability to create ATOM PDB records within the 'self.write_pdb_file()' method. |
2006-12-07 03:53:27 | Tree |
[r2920]
by
bugman
Changed the format of the PDB representation of the XH vector distribution. Each XH pair is being created as a proper vector with two atoms rather than all protons connecting |
2006-12-07 03:41:40 | Tree |
[r2919]
by
bugman
Added the method 'self.create_vector_dist()' to 'generic_fns/structure.py'. This function currently calculates and adds the centre of mass to the PDB file, adds the XH vectors |
2006-12-07 03:33:48 | Tree |
[r2918]
by
bugman
Started to created the 'structure.create_vector_dist()' user function. This function will, when completed, create a PDB representation of the XH bond vectors from the |
2006-12-07 03:28:24 | Tree |