is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.
| xmlrpc02.py (pymol-v1.8.6.0.tar.bz2) | : | xmlrpc02.py (pymol-v2.1.0.tar.bz2) |
|---|
| """ simple demo for using the PyMol RPC server | | """ simple demo for using the PyMol RPC server |
| | |
| Author: Greg Landrum (Landrum@RationalDiscovery.com) | | Author: Greg Landrum (Landrum@RationalDiscovery.com) |
| Created: February 2004 | | Created: February 2004 |
|
| $LastChangedDate: 2009-02-01 14:02:14 -0500 (Sun, 01 Feb 2009) $ | | $LastChangedDate: 2017-12-05 19:37:16 +0100 (Tue, 05 Dec 2017) $ |
| License: PyMol | | License: PyMol |
| Requires: | | Requires: |
| - a python xmlrpclib distribution containing the SimpleXMLRPCServer | | - a python xmlrpclib distribution containing the SimpleXMLRPCServer |
| module (1.0 or greater should be fine) | | module (1.0 or greater should be fine) |
|
| RD Version: $Rev: 3570 $ | | RD Version: $Rev: 4183 $ |
| """ | | """ |
|
| import xmlrpclib | | try: |
| | import xmlrpclib |
| | except ImportError: |
| | import xmlrpc.client as xmlrpclib |
| | |
| def startServer(host='localhost',startPort=9123,nToTry=5): | | def startServer(host='localhost',startPort=9123,nToTry=5): |
| done = 0 | | done = 0 |
| offset = 0 | | offset = 0 |
| while offset < nToTry: | | while offset < nToTry: |
| c = xmlrpclib.Server('http://%s:%d'%(host,startPort+offset)) | | c = xmlrpclib.Server('http://%s:%d'%(host,startPort+offset)) |
| try: | | try: |
| c.ping() | | c.ping() |
| except: | | except: |
|
| print 'Failed on port %d, trying another'%(startPort+offset) | | print('Failed on port %d, trying another'%(startPort+offset)) |
| offset = offset + 1 | | offset = offset + 1 |
| else: | | else: |
| done = 1 | | done = 1 |
| break | | break |
| if done: | | if done: |
| return c,startPort+offset | | return c,startPort+offset |
| else: | | else: |
| return None,-1 | | return None,-1 |
| | |
| molBlock="""3d.mol | | molBlock="""3d.mol |
| | |
| skipping to change at line 97 | | skipping to change at line 100 |
|---|
| 8 25 1 6 0 0 | | 8 25 1 6 0 0 |
| 10 26 1 6 0 0 | | 10 26 1 6 0 0 |
| 10 27 1 0 0 0 | | 10 27 1 0 0 0 |
| M END | | M END |
| """ | | """ |
| | |
| if __name__=='__main__': | | if __name__=='__main__': |
| import sys | | import sys |
| serv,port = startServer() | | serv,port = startServer() |
| if serv is not None: | | if serv is not None: |
|
| print 'connected to PyMol rpc-server on port %d'%port | | print('connected to PyMol rpc-server on port %d'%port) |
| else: | | else: |
|
| print 'unable to connect to PyMol' | | print('unable to connect to PyMol') |
| sys.exit(-1) | | sys.exit(-1) |
| serv.loadMolBlock(molBlock,'sample-mol') | | serv.loadMolBlock(molBlock,'sample-mol') |
| serv.set('sphere_scale',0.25,'sample-mol') | | serv.set('sphere_scale',0.25,'sample-mol') |
| serv.do('show sticks;show spheres') | | serv.do('show sticks;show spheres') |
| serv.sphere((.28,-1.2,1.48),.5,(1,0,1),'demo') | | serv.sphere((.28,-1.2,1.48),.5,(1,0,1),'demo') |
| serv.sphere((0,1.87,.26),.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.cylinder((.28,-1.2,1.48),(0,1.87,.26),.1,(.5,0,.5),'demo') |
| serv.zoom() | | serv.zoom() |
| | | |
| End of changes. 6 change blocks. |
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| 6 lines changed or deleted | | 9 lines changed or added |
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