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
