Showing posts with label calc-surface. Show all posts
Showing posts with label calc-surface. Show all posts

Thursday, April 10, 2008

How to obtain Standalone version of Calc-surface?

I am wondering if I could get a stand-alone version of calc-surface programe, I cannot find it in the software page of Prof. Gerstein lab.

I don't release binaries, because I am not good enough at it, to make it compatible with most systems. I would be happy to compile it for you, but I need to know what type of system you have: Linux, Mac, 32bit, 64bit, G4, G5. I am sorry to say I can't do Windows. Please contact the lab

Wednesday, April 9, 2008

How do I modify source code of Calc-Surface?

I want to use calc-surface with a large probe of 14 Angstroms but calc-surface seg faults when the probe is larger than 3 to 4 Å. I would like to modify the code to handler larger probes, can you point me in the right direction as to where to edit the code? I am using version 2.3.1.


The code you should be editing is called calc-surface.main.c which is in:

libproteingeometry-2.3.1/src-prog

I would also be careful about some other scripts or sub-routines that this program calls. Most of the scripts are usually in the same dir. All the programs are in one of these three:
src-prog, src-pro2 and src-pro3.