On 03/07/2017 05:42 PM, Markus Metz wrote: > Dear Stephane: > Thank you very much. > I will give it a try.
An alternative:
import os
import sys
import time
import threading
PYMOL_PATH = "/SOME/PLACE/lib64/python"
sys.path.append( PYMOL_PATH )
import pymol
def make_image( infile, outfile ) :
pymol.pymol_argv = ['pymol','-qc']
pymol.finish_launching()
cmd = pymol.cmd
cmd.load( infile )
cmd.hide( "everything" )
cmd.show( "sticks" )
cmd.util.cbaw()
cmd.set( "cartoon_discrete_colors", 1 )
cmd.set( "ray_opaque_background", "off" )
cmd.set( "ray_trace_mode", 1 )
cmd.set( "antialias", 2 )
cmd.set( "ray_trace_color", "grey" )
cmd.set( "cartoon_fancy_helices", 1 )
cmd.set( "cartoon_side_chain_helper", "on" )
cmd.png( outfile, width = 800, dpi = 300, ray = 1 )
while threading.active_count() > 2 :
time.sleep( 2 )
cmd.quit()
HTH,
--
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
signature.asc
Description: OpenPGP digital signature
------------------------------------------------------------------------------ Announcing the Oxford Dictionaries API! The API offers world-renowned dictionary content that is easy and intuitive to access. Sign up for an account today to start using our lexical data to power your apps and projects. Get started today and enter our developer competition. http://sdm.link/oxford
_______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
