leelasd / ligpargen

A repository for tutorials and FAQ's about LigParGen
http://traken.chem.yale.edu/ligpargen/
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itp file generation with BOSS executable, using pdb files #72

Open arashelahi opened 3 years ago

arashelahi commented 3 years ago

Hi Online server keeps giving me 504 gateway error when submitting molecules So, I'm trying to use BOSS to generate itp files. I did not find how to use pdb files for itp generation in the following short tutorial, as the example is for using SMILES. how could I get itp file using pdb file?

https://www.linkedin.com/pulse/how-install-ligpargen-server-locally-leela-sriram-dodda/?lipi=urn%3Ali%3Apage%3Ad_flagship3_profile_view_base%3Bo4DBwifgSOiqnh%2BZEiCX3g%3D%3D

I appreciate it very much if you could help me with this. Thank you very much