Dear Rojan, Since you have CCP4 installed, you should have the example file in $CCP4/examples/unix/non-runnable/sc.exam.
I attach the file for convenience. Tim On Wed, Jun 15, 2011 at 09:44:28AM +0900, Rojan Shrestha wrote: > Hello, > > > > I like to use surface complementary(sc) program of CCP4. Since I am a new > user, > I would like to see the example. The example link of website is dead. Can > somebody provide simple example of running SC from CCP4? > > > > > > Regards, > > > > Rojan > > > -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
#!/bin/sh -e ############################################################ # Example scripts for running shape complementarity # program sc with Grasp input ############################################################ sc XYZIN a22.pdb SURFIN1 A.grasp_surf SURFIN2 B.grasp_surf \ SURFOUT1 A.sc_surf SURFOUT2 B.sc_surf <<eof-sc MOLECULE 1 CHAIN A MOLECULE 2 CHAIN B END eof-sc sc XYZIN nca.pdb SURFIN1 H.grasp_surf SURFIN2 N.grasp_surf \ SURFOUT1 H.sc_surf SURFOUT2 N.sc_surf <<eof-sc MOLECULE 1 CHAIN H MOLECULE 2 CHAIN N END eof-sc exit #
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