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durrantlab / molmoda

MolModa provides a secure, accessible environment where users can perform molecular docking entirely in their web browsers.
https://durrantlab.pitt.edu/molmoda/
GNU General Public License v2.0
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How to open/import unpublished protein structure #8

Open Evert-Homan opened 1 week ago

Evert-Homan commented 1 week ago

Hi,

I am exploring MolModa and like it a lot. However, I can't see how I can import a protein structure that has not been published yet (i.e. is not in PDB database).

Please advise.

Thank you/Evert

jacobdurrant commented 1 week ago

Hi Evert.

I'm very happy that you're enjoying MolModa! If you have a structure file in a format like PDB, you can drag it into the MolModa window, and it will load automatically, even if there is no corresponding entry in the PDB. You can also use File --> Open to load a structural file like PDB or SDF from your hard drive.

I hope this helps! Take care.

P4j45 commented 1 week ago

Thanks for the quick reply. My impression was that File->Open only was for ligands. Will give it a try!

BW/Evert