first working version

no gui, inputs hardcoded
before publishing
Merge pull request #44 from gha2012/mtsslDock

some changes to mtsslWizard and first version of mtsslDock
mtsslTrilaterate

small change to mtsslDock
add findSurfaceResidues
Update dehydron.py

now the plugin is called wrappy and report the number of hydrogen bonds per residue and wrappers per residue as Z-scores (the mean and the standard deviation where taken from a statistical analysis of ~7000 high quality proteins).
Lots of improvements for I/O of cns tbl file and grouping of restraints.

Signed-off-by: Justin Lecher <jlec@gentoo.org>
Merge pull request #45 from gha2012/mtsslDock

mtsslTrilaterate
Update cheshift.py

CheShift-2 server was updated, consequently the plug-in was changed to reflect those changes. Basically now the color code is different, and now the plug-in retrieves more files from the server than before. 3 pdb files (coloured differently) and one zip file containing detailed information of the protein validation and if available information to "repair flaws". All this changes will be explained in the PyMOL wiki ASAP.
add cubes.py
Optimize provides a PyMOL graphical interface to some of the many options available in openbabel
Update optimize.py
Update optimize.py
add isoslider plugin
Update optimize.py
Update inertia_tensor.py

minor typo fixed
Merge pull request #46 from matt-maci/patch-1

Update inertia_tensor.py
fix color_by_conservation.py for newer PyMOL versions

alignments now report as type "object:alignment"
update selection expression for coping with empty chain name

chain name is now always quoted so the selection expression is correctly interpreted even when chain name is empty (" ").
Merge pull request #47 from hongbo-zhu-cn/master

update selection expression for coping with empty chain name