Thanks to @stevenluo22 for describing the following issue:
The issue with generating fragment memories for more than one protein chain (monomer) at a time
FOR PDB 1LE5:
Chain A and Chain B correspond to different monomers of the NFkB protein. Chain A is the RelA and Chain B is the p50 monomer. I was expecting ... the fraglib to include both chain A and chain B by default; they do not. They start at 276 (on chain B).
If I do not include --chain A or --chain B, or if I include --chain AB, the fraglib will generate for chain B.
Thanks to @stevenluo22 for describing the following issue:
The issue with generating fragment memories for more than one protein chain (monomer) at a time
FOR PDB 1LE5:
Chain A and Chain B correspond to different monomers of the NFkB protein. Chain A is the RelA and Chain B is the p50 monomer. I was expecting ... the fraglib to include both chain A and chain B by default; they do not. They start at 276 (on chain B).
If I do not include
--chain Aor--chain B, or if I include--chain AB, the fraglib will generate for chain B.