ci-lab-cz / pharmd

MD pharmacophores and virtual screening
BSD 3-Clause "New" or "Revised" License
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no module name 'plip.modules' #4

Open SuparnaGhosh01 opened 2 years ago

SuparnaGhosh01 commented 2 years ago

Dear peers, I am facing a problem while executing the command 'md2pharm'. The terminal was appeared as- no module name 'Philip.modules'. How can I solve the issue?? Screenshot from 2021-12-14 04-26-55

meddwl commented 2 years ago

Dear user, you can install plip pip install plip to solve this problem. ( https://github.com/pharmai/plip ) Or an alternative option is to install new version of pharmd which is located in the cgr branch. The new version of the code uses different packages to search for protein-ligand interactions. For this you need to install next packages: pip install git+https://github.com/meddwl/pharmd.git@cgr # new version, it uses CGRtools and PharmaContacts to determine protein-ligand interactions pip install git+https://github.com/meddwl/psearch.git@gen_pharms # to make the code work, you need this version of psearch. The pmapper package will be installed automatically pip install CGRtools pip install https://github.com/stsouko/PharmaContacts.git