And if you want to know what actually contacts what then you can try CONTACT program in CCP4 which was mentioned a few weeks back. Or how about the UCSF Chimera command 'findclash' which will print out contacting atom pairs and show pseudobonds. https://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/findclash.html For example if you have several chains then the command: findclash :.o test other overlapCutoff 0.0 hbondAllowance 0.0 saveFile browse would find contacts of chain o with other chains based on van der Waals radii (haven't tried it with explicit hydrogens). ('saveFile browse' gives a dialogue to save the results to a file.) I have been parsing the results from that file, grouping by residue, and plotting a 2D contact plot: chain 1 residues versus chain 2. Usually I set overlapCutoff to be negative in case there is something interesting 'hovering' close but not in actual contact (or maybe bouncing off given its B-factor....) All the best Martyn PS Chimera's command line is launched from the menu 'Favorites' Martyn Symmons Cambridge On Thu, Sep 22, 2016 at 2:24 PM, Eleanor Dodson <[log in to unmask]> wrote: > Do you mean contacts between molecules. PISA dos that - available at PDBe or > in CCP4 suite > Eleanor > > On 22 September 2016 at 13:44, Reza Khayat <[log in to unmask]> wrote: >> >> Hi, >> >> >> >> Can someone suggest a program for generating intermolecular contact maps >> in a PDB file? Thanks. >> >> >> >> Best wishes, >> Reza >> >> >> >> Reza Khayat, PhD >> >> Assistant Professor >> >> Department of Chemistry >> >> City College of New York >> >> 85 Saint Nicholas Terrace, CDI 2.318 >> >> New York, NY 10031 >> >> http://www.khayatlab.org/ >> >> 212-650-6070 >> >> > >