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GPCR-ModSim / qfepweb

Development of the web interface to QligFEP.
GNU Lesser General Public License v2.1
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Uploading multiple SDFs with unique (or multiple?) molecules each. #11

Open xbello opened 3 years ago

xbello commented 3 years ago

Adding:

self.fields["in_sdf"].widget.attrs.update({"multiple": True})

to networkgen/forms.py allows the upload of multiple files. This has to be tuned downstream, because MapGen is only accepting one file.

We need some valid (and in the same network), and invalid (wrong SDF files, etc) files to test.

JenkeScheen commented 3 years ago

Nice work @xbello, see here for some 'correct' and 'wrong' SDF files. I made the 'wrong' SDF files by removing lines 5-10 for all the 'correct' files - I checked with pymol and structure loading does indeed fail. Not sure if I recall which ligand series this is but they are in the same network.

sdffiles.tar.gz

xbello commented 3 years ago

This is the branch for the issue.

https://github.com/GPCR-ModSim/qfepweb/tree/multifile_upload

JenkeScheen commented 3 years ago

sure, where exactly do you want me to drop the files?

JenkeScheen commented 3 years ago

never mind! You're way ahead of me :)