[PyMOL] Dynoplot : Interactive plot

2011-08-16 Thread Joseph André
Hi everybody, I want to build an interactive plot I tried to use and tweak dynoplot but DynoPlot doesn't work properly : I can display the Tk window but points aren't plotted. However the dihedrals angles are computed correctly. There isn't any traceback or error reported on the console. Do you

Re: [PyMOL] Dynoplot : Interactive plot

2011-08-16 Thread Thomas Holder
On 08/16/2011 03:16 PM, Joseph André wrote: Hi everybody, I want to build an interactive plot I tried to use and tweak dynoplot but DynoPlot doesn't work properly : I can display the Tk window but points aren't plotted. However the dihedrals angles are computed correctly. There isn't any

Re: [PyMOL] Dynoplot : Interactive plot

2011-08-16 Thread Joseph André
Hi Thomas, thanks for your quick reply. I'm a newbie at Tk programming but from what I understand, gui code for Dynoplot had been written from scratch. Do you know if they are libraries that would facilitate the plotting and the interaction with pymol? Best regards Joseph 2011/8/16 Thomas

Re: [PyMOL] Dynoplot : Interactive plot

2011-08-16 Thread Thomas Holder
Hi Joseph, thanks for your quick reply. I'm a newbie at Tk programming but from what I understand, gui code for Dynoplot had been written from scratch. Do you know if they are libraries that would facilitate the plotting and the interaction with pymol? There are many libraries for plotting,

[PyMOL] How to draw a cartoon representation on secondary structures containing beta-amino acids?

2011-08-16 Thread Baptiste Legrand
Dear all, I have a small helical pseudopeptide with mixed alpha and beta amino-acids. How can I make a cartoon representation of this helix with Pymol? For the moment, I have selected the peptide backbone atoms and tried the alter command to force pymol to recognize the helix but it do not

Re: [PyMOL] loading gro files

2011-08-16 Thread Marius Retegan
Maybe this can help you http://sourceforge.net/mailarchive/message.php?msg_id=19472192 Cheers, Marius On Tue, Aug 16, 2011 at 2:19 AM, Michael Daily mdaily.w...@gmail.com wrote: Hi all, Is there a direct way to load a gromacs structure file (.gro) in PyMOL? I know it's simple to convert

Re: [PyMOL] How to draw a cartoon representation on secondary structures containing beta-amino acids?

2011-08-16 Thread Baptiste Legrand
Thanks Joseph and Thomas for your replies. When I use the as cartoon commands, all my molecule disappear. My *pdb file could be the problem as it is a *cif crystal structure file (converted with mercury) from the cambridge crystal data. Cheers, Baptiste 2011/8/16 Thomas Holder