Hello,
I'm using Modeller to mutate only. I was wondering how hard it would be to
mutate any position into a non-standard residue. I have my residues in
Amber format (frcmod+off), and I read that I must create the definitions in
CHARMM (RST) format, so modeller understands its topology+charges,etc.
I also have a PDB file and PRMTOP with the non-standard residue. How hard
would it be to make this work in Modeller?. Has anybody done it before?
I see that ParmED (for example) can import the Amber files and generate RST
files from them, but I didn't fully understand how many files I must modify
in modeller, or whether I should use the BLK option, but it is not very
well documented how to do so.
Thanks in advance for any info on this.
Pedro
