Re: [PyMOL] energy minimisation in python

2003-09-18 Thread Michael Banck
On Thu, Sep 18, 2003 at 05:48:56PM +0100, Paulo Martel wrote: > On Thu, 2003-09-18 at 14:36, Alan Wilter Sousa da Silva wrote: > > > > And about Ghemical project? > > > > Ghemical is not a Python project, it is a GNU GPL package written in C FWIW, ghemical is written in C++. > using the Gtk to

Re: [PyMOL] energy minimisation in python

2003-09-18 Thread Paulo Martel
On Thu, 2003-09-18 at 14:36, Alan Wilter Sousa da Silva wrote: > > And about Ghemical project? > Dear Alan, Ghemical is not a Python project, it is a GNU GPL package written in C using the Gtk toolkit, with the GtkGlarea widget providing OpenGl accelerated graphics in a Gtk window. It provides

Re: [PyMOL] energy minimisation in python

2003-09-18 Thread Alan Wilter Sousa da Silva
And about Ghemical project? http://www.bioinformatics.org/ghemical/ On Wed, 17 Sep 2003 pymol-users-requ...@lists.sourceforge.net wrote: > On Wed, Sep 10, 2003 at 10:57:59AM +0300, Dr. Daniel James White PhD wrote: > > Warren , > > > > Are you aware of the python MMTK molecular dynamics package?

Re: [PyMOL] energy minimisation in python

2003-09-17 Thread D. Joe Anderson
On Wed, Sep 10, 2003 at 10:57:59AM +0300, Dr. Daniel James White PhD wrote: > Warren , > > Are you aware of the python MMTK molecular dynamics package? > AMBER force field and energy minimisation are there! > Could this be easily interfaced with pymol? > > http://starship.python.net/crew/hinsen/M

[PyMOL] energy minimisation in python

2003-09-10 Thread Dr. Daniel James White PhD
Warren , Are you aware of the python MMTK molecular dynamics package? AMBER force field and energy minimisation are there! Could this be easily interfaced with pymol? http://starship.python.net/crew/hinsen/MMTK/ I had a play with it but I don't really know what I am doing and need to learn