Code To Reading Charmm Parameter/Toplogy Files

Question

[dimkal]

Does any know of any code (preferably in python) to read in charmm topology, parameter and psf files?

Answer 1

[Pascal]

I have seen this one that may help you: http://lausanne.isb-sib.ch/~agrosdid/projects/wrappers/

Cheers,

Pascal

[dimkal]

thanks pascal, i'm afraid the python wrappers require the charmm, i was hoping to find an independent tool. thanks though.

Answer 2

[João Rodrigues]

Why do you want to read such topologies, parameters and psfs? Depending on the answer we might give a better, more precise, answer.

In any case, have a look here. It's not what you want, but surely it incorporates bits of it. You might have to ask it from the author. I also found this library that can perhaps give you a hint..

[dimkal]

thanks! but I already solved this myself. I'd done so by writing a bunch of scripts that extract charges and connectivity of a given molecule RES from an rtf file. Thanks for getting back to me though.