SanFran-Me

rf = RFScore() TypeError: 'module' object is not callable

2

``` import os import pandas as pd import csv import oddt from oddt.scoring.functions import RFScore oddt.toolkit = oddt.toolkits.rdk rf = rfscore(version=1, n_jobs=-1) # rf.load('/path/to/your/model.pkl') with open('result_csv.csv', 'w', newline='') as csvfile:...

ERROR/warning when read pdb files

1

I want to know whether the following ERROR/warning matters when I mutate amino acids in pyrosetta: ``` core.import_pose.import_pose: File '/data2/rjli/test_dataset/1amk/1amk_protein.pdb' automatically determined to be of type PDB core.io.pdb.HeaderInformation: [ WARNING...

The details in generating <PDBid>_nowat.pdb

3

In the PDBbind2016 data directory, I see the following files that seems to be used in your training project. `_nowat.pdb -- Receptor structure with all HETATOMS removed` I was wondering...

Why the screening Not accurate?

1

I generate the .pm file for rec.pdb and its ligand ref_lig.sdf Then I put the ref_lig.sdf in the library, and run the screening code. I expect that it will be...