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Does the development team have plans to support PQR files?

Open SophiaChina opened this issue 4 years ago • 5 comments

Such as the title @arose

SophiaChina avatar Apr 02 '21 05:04 SophiaChina

We had support for PQR in NGL (https://github.com/nglviewer/ngl/blob/master/src/parser/pdb-parser.ts#L116). It could be added to Mol* as a variant of the PDB parser as well.

@SophiaChina Would you be interested in trying this?

arose avatar Apr 05 '21 06:04 arose

Thank you very much for your reply. When the suffix of pqr file is changed to pdb, it can be loaded successfully in Mol*, but the electrostatic potential energy surface can not be displayed. How can I open a pqr file directly in molstar and successfully display the electrostatic potential energy surface, as in NGL?

SophiaChina avatar Apr 08 '21 04:04 SophiaChina

Hi @SophiaChina, did you find a way to display the surface charge mapping with Mol* using the PQR file ?

j-faustin-instadeep avatar Jan 22 '24 11:01 j-faustin-instadeep

Hi @arose, did this ever come to fruition? We need the ability to visualize PQR files (and are currently using NGL) but are very interested in utilizing the nice features that mol* has to offer, specifically the ability to select residues on the structure which highlight the residue in sequence and vice versa. It would be wonderful to have both in mol*! Thanks.

eliottpark avatar Jan 31 '24 17:01 eliottpark