Brian Ahern comments

Repositories
Issues
Comments

Results 2 comments of


                                            Brian Ahern

support for CONECT in parsePDB and writePDB

I see this is closed as completed, but while now parsePDB can parse CONECT records, writePDB cannot write them. For me this means that ProDy cannot be used to manipulate...

RuntimeError: cannot sample n_sample > prob_dist.size(-1) samples without replacement

Substrate potentials are not currently implemented for the case where no protein motif is provided.