Re: [PyMOL] loading a cube file from the API

en" from the gui. Thanks! Raul On Mon, Feb 17, 2014 at 11:41 PM, Thomas Holder wrote: > Hi Raul, > > there should be no difference between loading from the GUI or using the > "load" (not "Load") command. > > The cube file needs to have a ".cube&q

[PyMOL] loading a cube file from the API

Hi all, I am trying to code a little script that needs to load Guassian cube files (to later create some isusurfaces). The cube format is supported, and one can easily use the TK interface (file->open) to load the file into PyMOL. I have been looking for the command to do it automatically in a scr

[PyMOL] 2 new plugins, and a bit more :-)

Dear all, I develop goChem, an open source library for computational chemistry written in the Go language. I have incorporated a couple of Python functions that allow easily writing PyMOL plugins with goChem, using JSON and pipes for data transfer. As a proof of concept, I wrote two (also open so

[PyMOL] Guessing bonds for a chempy model.

Hi all, I want to load a chempy model into PyMOL. Unfortunately, the model has all the coordinate information, but not bonds defined. I know PyMOL can guess the bonds from the distances, but it does not do it if I just use cmd.load_model, and I could not find a way of doing it. Does anyone know h