[MMTK] PDB reading

Peter mmtk at maubp.freeserve.co.uk
Wed Jan 18 12:26:48 CET 2006

mprabha at fiu.edu wrote:
> I could not be able to load any pdb even single peptide. 
> Do you have any script of loading PDB and doing simulation please forward it to me
> thank you
> Prabhakaran

I have been able to load most PDB files I have tried, but have not tried 
any simulations with them.

There should be some examples included with MMTK (if you are on windows, 
you will need to download the full source distribution as the examples 
are not included in the windows installer).


In particular, look at:


(The last example might help with my current problem recently posted to 
the list, by reading a file with hydrogens and creating a structure 
without them)


More information about the mmtk mailing list