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Hi Engin, I created the file as you mentioned earlier, but I am having some problems with it. If I keep the "./sc_radii.lib" portion, I get the following error message: File: "./sc_radii.lib" Cannot be opened for reading >>>>>> CCP4 library signal ccp4_general:Cannot find input file (Error) raised in ccp4setenv <<<<<< Last system error message: No such file or directory sc: Cannot find input file sc: Cannot find input file Times: User: 0.0s System: 0.0s Elapsed: 0:00 I also tried removing the sc_radii.lib section, and I got the following error message: >>>>>> CCP4 library signal ccp4_general:Use: <logical name> <file name> (Error) raised in ccp4fyp <<<<<< sc: Use: <logical name> <file name> sc: Use: <logical name> <file name> Times: User: 0.0s System: 0.0s Elapsed: 0:00 ./sc.sh: line 5: MOLECULE: command not found ./sc.sh: line 6: CHAIN: command not found ./sc.sh: line 7: CHAIN: command not found ./sc.sh: line 10: END: command not found ./sc.sh: line 11: eof: command not found I am not sure what I am doing wrong with this script, so can you please give me some pointers? I attached the script I'm using for your convenience. Thank you, Nishant Kumar Singh On Tue, Sep 29, 2015 at 11:53 AM, Engin Özkan <[log in to unmask]> wrote: > You run it in the Terminal (if you've never used it, search for it in > Spotlight). > > Create a file like this (below), make sure it is executable (chmod +x > filename_here), and run it (./filename_here). > > #!/bin/sh -e > sc XYZIN your.pdb SCRADII ./sc_radii.lib <<eof > MOLECULE 1 > CHAIN A > MOLECULE 2 > CHAIN B > END > eof > > The "SCRADII ./sc_radii.lib" part is unnecessary if you only have amino > acid residues in your structure. Disclaimer: Haven't run sc and tested this > code in a while, but should at least help you get started. The CCP4 webpage > should also have examples. > > Engin > > > On 9/29/15 9:38 AM, NISHANT SINGH wrote: > > > Hi Everyone, > > > I am using CCP4i 6.5.017 on an imac. I want to us the shape > complementarity (sc) for my complex. I looked on line and on the CCP4 > website, it says that sc is a CCP4 supported program, but I can't find it > anywhere. I have looked through the entire program list. Am i missing > something? Please help. > > > Sincerely, > > Nishant Kumar Singh > > > -- > Engin Özkan, Ph.D. > Assistant Professor > Dept of Biochemistry and Molecular Biology > University of Chicago > Phone: (773) 834-5498http://ozkan.uchicago.edu > >