On Fri, Jul 21, 2017, Akshar Sharma wrote:
> I did try that, but it seems that in order to use addresidue() , I would
> have to define a residue library for my special residues in the directory
> $AMBERHOME/dat/reslib which I'm not sure how to do...
> Is there any way to use addresidue without doing this?
> Otherwise, how do I define a residue library (is there any book or website
> that could teach me how to?)
If you just need the coordinates (say in PDB format, for some other
application), things should be much simpler. If the residue numbers
are not correct, try running the pdb file you get through pdb4amber. You will
have to make sure that your input pdb file has TER cards after each strand (aka
chain).
If you need to carry out force field calculations, you'll have to learn how
to make libraries for modified residues. See, e.g. tutorials B4 and B5. But
you might not need NAB for that...
....dac
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Received on Tue Jul 25 2017 - 17:30:02 PDT
