Hi, Simultaneously with the work with the diffusion tensor PDB representation (i.e. the code is in the 'tensor_pdb' branch), I have implemented rudimentary support for PyMOL. The following user functions are now available:
pymol.view() # Launches PyMOL opening the loaded PDB file. pymol.cartoon() # Changes the representation to the cartoon style and colours by secondary structure. pymol.tensor_pdb() # Loads the rotational diffusion tensor PDB representation created by the 'pdb.create_tensor_pdb()' user function into PyMOL. The user functions for creating macros to represent results superimposed onto the structure are not functional. Someone will need to generate sample macros manually and then code them into relax. Edward On Mon, 2006-10-30 at 18:17 +1100, Edward d'Auvergne wrote: > In response to the sub-thread started by Sebastien Morin at > https://mail.gna.org/public/relax-devel/2006-10/msg00147.html > (Message-id: <[EMAIL PROTECTED]>), I have started to > implement rudimentary support for interfacing between relax and PyMOL > using the '-p' flag information provided by Douglas Kojetin at > https://mail.gna.org/public/relax-devel/2006-10/msg00164.html > (Message-id: <[EMAIL PROTECTED]>). This > code is in the 'branches/tensor_pdb' directory. > > However when running PyMOL through a relax script, the program would > terminate when the script terminates > (https://mail.gna.org/public/relax-devel/2006-10/msg00168.html, > Message-id: <[EMAIL PROTECTED]> > and https://mail.gna.org/public/relax-devel/2006-10/msg00169.html, > Message-id: <[EMAIL PROTECTED]>). > > To find out if there was a simple solution, I asked a question about > persistent PyMOL pipes at the "pymol-users at lists.sourceforge.net" > mailing list (http://sourceforge.net/mailarchive/message.php?msg_id=37186991). > I received an answer from DeLano Scientific, I wonder whom that could > be, saying that the solution is the '-K' option. The thread of these > posts is located at > http://sourceforge.net/mailarchive/forum.php?thread_id=30844748&forum_id=60. > I'll add this option and commit the changes to the repository soon. > This should open up a path for the full support of PyMOL. > > Edward _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
