Local prodrg binary needed

Help!I need prodrg binary :shaking_face: .

I tried acpype,atb server,biobb to generate custom ligand top and par files in haddock3 [topoaa] module.

I found that acpype and biobb can generate suitable small ligands for haddock3,as I shared recently in github issue 884.

However,when ligands contains more than 100 atoms (PRO-TAC ligand,for example),acpype with different force field and CNS flags takes more than 3 hours to calcuate energy and parameters for ligands.And it fails to pass through [topoaa] module.

ATB websever can generate CNS top and par files too,but also fails.In 0topoaa directory,psf file is generated but pdb file is blank.CNS doesn’t give stderr info in the directory or log file.

I use haddock2.4 webserver to get suitable CNS top and par files,and that works for haddock3 topoaa.

I notice that they are generated by prodrg.Prodrg’s website doesn’t run anymore,so I can’t request its binary and run locally.I tried ccp4-prodrg but it stores topology and parameter info in cif format file,which is not recognized by CNS.

Could anyone share a copy of prodrg binary?I need to parameterize millions of ligands for academic purpose.This will impose a significant burden on haddock2.4 server.I prefer to do it locally.

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