pharmd

pharmd copied to clipboard

TypeError: _get_features_atom_ids() missing 1 required positional argument: 'smarts_features'

20

Hi, I managed to install the package, but when i run md2pharm using the command md2pharm -i md_center.xtc -t pharmd.pdb -s 10 -g LIG -o pharmaco/frames.pdb i got the message:...

sherifelsabbagh

I tried to install pharmd in Ubuntu 20.04 but received an error related to openbabel. So I specified the locations of Include and Library as the error message suggested: python...

lotus0905

no module name 'plip.modules'

1

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...

SuparnaGhosh01

it seems that pharmd installs psearch from the masters branch. so, when I did the get_scores, it said that "no module named psearch.database". I tried to play around, and found...

sherifelsabbagh