Commit | Date | |
---|---|---|
[r16929]
by
bugman
Added CONECT records to the sphere.pdb file to allow connectivities to be more easily determined. This is for the internal reader, as the current algorithm for finding attached atoms is distance |
2012-06-18 09:14:59 | Tree |
[r16928]
by
bugman
Implemented the are_bonded() structural API method for the internal structural object. |
2012-06-18 09:06:35 | Tree |
[r16927]
by
bugman
Created the structural API base are_bonded() method - this is for determining if 2 atoms are bonded. This is a method stub which raises a RelaxImplementError. |
2012-06-18 07:50:31 | Tree |
2012-06-17 22:12:09 | Tree | |
2012-06-17 21:22:09 | Tree | |
[r16924]
by
bugman
Shifted the dipole-dipole graphics to the Wizard directory, as this is a wizard graphic. |
2012-06-17 20:37:57 | Tree |
2012-06-17 20:37:23 | Tree | |
2012-06-17 11:54:24 | Tree | |
[r16921]
by
bugman
The bond length setting via value.set has no been merged into relax_data.dipole_pair. This averaged length is dipole-dipole distance and does not need to be a model-free parameter. |
2012-06-17 11:54:03 | Tree |
2012-06-17 09:46:11 | Tree |