I was running the predict.sh trial for the 7NB4 protein.
however, I have this error that this error and would be happy to get some help?
tensorflow.python.framework.errors_impl.AlreadyExistsError: Another metric with the same name already exists.
Traceback (most recent call last):
File "./src/relax/align_ligand_conformer.py", line 192, in
pred_ligand = read_pdb(args.pred_pdb[0])
File "./src/relax/align_ligand_conformer.py", line 28, in read_pdb
struc = parser.get_structure('',open(pred_pdb,'r'))
FileNotFoundError: [Errno 2] No such file or directory: './data/test_case/7NB4/7NB4_pred_raw.pdb'
grep: ./data/test_case/7NB4/7NB4_pred_raw.pdb: No such file or directory
Traceback (most recent call last):
File "./src/relax/openmm_relax.py", line 13, in
from openff.toolkit import Molecule
ImportError: cannot import name 'Molecule' from 'openff.toolkit' (/homes/cveranso/.conda/envs/Umol/lib/python3.7/site-packages/openff/toolkit/init.py)
Traceback (most recent call last):
File "./src/relax/add_plddt_to_relaxed.py", line 110, in
raw_coords, raw_chains, raw_atom_numbers, raw_3seq, raw_resnos, raw_atoms, raw_bfactors = read_pdb(args.raw_complex[0])
File "./src/relax/add_plddt_to_relaxed.py", line 28, in read_pdb
f=open(pdbname,'rt')
FileNotFoundError: [Errno 2] No such file or directory: './data/test_case/7NB4/7NB4_pred_raw.pdb'
(Umol) cveranso@g02:~/Umol/Umol-master$
(Umol) cveranso@g02:~/Umol/Umol-master$ pip3 install openff.toolkit
Requirement already satisfied: openff.toolkit in /home/disk6/homes/cveranso/.conda/envs/Umol/lib/python3.7/site-packages (0.10.7)
WARNING: There was an error checking the latest version of pip.
I was running the predict.sh trial for the 7NB4 protein.
however, I have this error that this error and would be happy to get some help?
tensorflow.python.framework.errors_impl.AlreadyExistsError: Another metric with the same name already exists. Traceback (most recent call last): File "./src/relax/align_ligand_conformer.py", line 192, in
pred_ligand = read_pdb(args.pred_pdb[0])
File "./src/relax/align_ligand_conformer.py", line 28, in read_pdb
struc = parser.get_structure('',open(pred_pdb,'r'))
FileNotFoundError: [Errno 2] No such file or directory: './data/test_case/7NB4/7NB4_pred_raw.pdb'
grep: ./data/test_case/7NB4/7NB4_pred_raw.pdb: No such file or directory
Traceback (most recent call last):
File "./src/relax/openmm_relax.py", line 13, in
from openff.toolkit import Molecule
ImportError: cannot import name 'Molecule' from 'openff.toolkit' (/homes/cveranso/.conda/envs/Umol/lib/python3.7/site-packages/openff/toolkit/init.py)
Traceback (most recent call last):
File "./src/relax/add_plddt_to_relaxed.py", line 110, in
raw_coords, raw_chains, raw_atom_numbers, raw_3seq, raw_resnos, raw_atoms, raw_bfactors = read_pdb(args.raw_complex[0])
File "./src/relax/add_plddt_to_relaxed.py", line 28, in read_pdb
f=open(pdbname,'rt')
FileNotFoundError: [Errno 2] No such file or directory: './data/test_case/7NB4/7NB4_pred_raw.pdb'
(Umol) cveranso@g02:~/Umol/Umol-master$
(Umol) cveranso@g02:~/Umol/Umol-master$ pip3 install openff.toolkit Requirement already satisfied: openff.toolkit in /home/disk6/homes/cveranso/.conda/envs/Umol/lib/python3.7/site-packages (0.10.7) WARNING: There was an error checking the latest version of pip.