Hi Reiner I haven't seen this problem before; if you send me all the relevant files I will try to check it out. It may relate to the fact that the GRASP files were made with Chimera.
sincerely Mike Lawrence > Hello everybody, > > I recently tried to feed the shape complementarity program (sc) with GRASP > surface files for visualisation. Sc is supposed to output modified surface > files, again, in GRASP format. However, the program terminated without > producing a file, or, sometimes, writing truncated ones. The GRASP files > passed the compatibility check of sc. I tested two different pdb files > with the according GRASP surface files (made with Chimera). > > The first run ended with: "At line 2825 of file > /usr/local/xtal/ccp4-6.1.13/src/sc_/sc.f > Fortran runtime error: End of file" > > In the second run, I removed all hydrogen atoms before I calculated the > surface files. Sc showed the following error: " Header information from > grasp file 1 > ------------------------------------ > format=2 > Keywords=vertices,normals,triangles > Properties= > > Decoding property list.... > > Updated property list is:,gproperty > Number of vertices= 76375 > Number of triangles= 54697 > Size of grid= 65 > Midpoint 91.033806 91.542160 89.700684 > vertices read > accessibles read > <B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN--> > SC: read error in s/r read_real_line > SC: read error in s/r read_real_line > Times: User: 8.3s System: 0.4s Elapsed: 0:09 > </pre> > </html> > <!--SUMMARY_END--></FONT></B> > > I can't make head or tail of it, maybe someone else can. > Thanks in advance for any information and advice > > > Reiner > > > ______________________________________________________________________ The information in this email is confidential and intended solely for the addressee. You must not disclose, forward, print or use it without the permission of the sender. ______________________________________________________________________
