LiteMol Can litemol read molecular data of type string, and if so, what format

Can litemol read molecular data of type string, and if so, what format

Open hhDD22 opened this issue 5 years ago • 3 comments

Mar 20 '19 07:03 hhDD22

What format do you need supported? It can read string data, but that is a very broad concept.

Mar 20 '19 10:03 dsehnal

Thanks for your reply I want to read the structure of a few amino acid molecules.

The amino acid is specified by passing in an external parameter.

I don't know what to do

Mar 21 '19 00:03 hhDD22

Maybe convert the file to PDB, CIF or SDF first?

Mar 21 '19 07:03 dsehnal