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
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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
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I can't make head or tail of it, maybe someone else can.
Thanks in advance for any information and advice
Reiner
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