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""" simple demo for using the PyMol RPC server
Author: Greg Landrum (Landrum@RationalDiscovery.com)
Created: February 2004
$LastChangedDate: 2009-02-01 14:02:14 -0500 (Sun, 01 Feb 2009) $
License: PyMol
Requires:
- a python xmlrpclib distribution containing the SimpleXMLRPCServer
module (1.0 or greater should be fine)
RD Version: $Rev: 3570 $
"""
import xmlrpclib
def startServer(host='localhost',startPort=9123,nToTry=5):
done = 0
offset = 0
while offset < nToTry:
c = xmlrpclib.Server('http://%s:%d'%(host,startPort+offset))
try:
c.ping()
except:
print 'Failed on port %d, trying another'%(startPort+offset)
offset = offset + 1
else:
done = 1
break
if done:
return c,startPort+offset
else:
return None,-1
molBlock="""3d.mol
27 28 0 0 0 1 V2000
1.7032 0.2061 -1.4783 C 0 0 0 0 0
-1.1754 1.1362 0.5252 C 0 0 0 0 0
-0.8291 -0.4052 -1.6110 C 0 0 0 0 0
-1.2900 -0.2398 -0.1445 C 0 0 0 0 0
1.7764 0.1474 0.0609 C 0 0 0 0 0
1.2054 1.3597 0.8068 C 0 0 0 0 0
-0.9224 -1.4043 0.7840 C 0 0 0 0 0
1.4274 -1.2288 0.6468 C 0 0 0 0 0
0.2875 -1.2046 1.4805 O 0 0 0 0 0
0.3400 0.4288 -2.1474 C 0 0 0 0 0
0.0057 1.8686 0.2581 O 0 0 0 0 0
2.1441 -0.7361 -1.8853 H 0 0 0 0 0
2.3779 1.0240 -1.8348 H 0 0 0 0 0
-1.3300 1.0780 1.6257 H 0 0 0 0 0
-1.9986 1.7818 0.1317 H 0 0 0 0 0
-1.6979 -0.1528 -2.2717 H 0 0 0 0 0
-0.6158 -1.4800 -1.8185 H 0 0 0 0 0
-2.4054 -0.3977 -0.2240 H 0 0 0 0 0
2.8858 0.2153 0.2548 H 0 0 0 0 0
1.9363 2.1991 0.7014 H 0 0 0 0 0
1.0950 1.2014 1.9010 H 0 0 0 0 0
-0.9058 -2.3887 0.2658 H 0 0 0 0 0
-1.6992 -1.5000 1.5819 H 0 0 0 0 0
2.2587 -1.5596 1.3170 H 0 0 0 0 0
1.3356 -2.0264 -0.1211 H 0 0 0 0 0
0.4626 0.1900 -3.2341 H 0 0 0 0 0
0.0668 1.5081 -2.1636 H 0 0 0 0 0
1 5 1 1 0 0
1 10 1 0 0 0
1 12 1 0 0 0
1 13 1 0 0 0
2 4 1 0 0 0
2 11 1 0 0 0
2 14 1 1 0 0
2 15 1 0 0 0
3 4 1 1 0 0
3 10 1 0 0 0
3 16 1 6 0 0
3 17 1 0 0 0
4 7 1 1 0 0
4 18 1 0 0 0
5 6 1 1 0 0
5 8 1 0 0 0
5 19 1 0 0 0
6 11 1 0 0 0
6 20 1 0 0 0
6 21 1 1 0 0
7 9 1 1 0 0
7 22 1 6 0 0
7 23 1 1 0 0
8 9 1 1 0 0
8 24 1 1 0 0
8 25 1 6 0 0
10 26 1 6 0 0
10 27 1 0 0 0
M END
"""
if __name__=='__main__':
import sys
serv,port = startServer()
if serv is not None:
print 'connected to PyMol rpc-server on port %d'%port
else:
print 'unable to connect to PyMol'
sys.exit(-1)
serv.loadMolBlock(molBlock,'sample-mol')
serv.set('sphere_scale',0.25,'sample-mol')
serv.do('show sticks;show spheres')
serv.sphere((.28,-1.2,1.48),.5,(1,0,1),'demo')
serv.sphere((0,1.87,.26),.5,(1,0,1),'demo')
serv.cylinder((.28,-1.2,1.48),(0,1.87,.26),.1,(.5,0,.5),'demo')
serv.zoom()
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