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when conducting Spliting Pocket function. I want to use my **.pdb and **.sdf file. I met a error as foolows:
we can not compute the atoms on the surface of protein, because pymol can not be imported
Traceback (most recent call last):
File "produce1xc6.py", line 6, in
pocket_block, _ = SplitPocket._split_pocket_with_surface_atoms(pro, lig, dist_cutoff)
File "/home/dmeng/protein/PocketFlow/pocket_flow/utils/process_raw.py", line 68, in _split_pocket_with_surface_atoms
protein.compute_surface_atoms()
File "/home/dmeng/protein/PocketFlow/pocket_flow/utils/ParseFile.py", line 465, in compute_surface_atoms
pymol.cmd.load(self.pdb_file)
NameError: name 'pymol' is not defined
BTW, I installed your env file successfully and can run your code of Molecular generation. Can you give some suggestions. Thanks.
The text was updated successfully, but these errors were encountered:
Hi, sorry for reply late. It seems to be uncorrect installation of pymol. You can try: 'conda install -c schrodinger pymol' or the commands in https://anaconda.org/schrodinger/pymol
when conducting Spliting Pocket function. I want to use my **.pdb and **.sdf file. I met a error as foolows:
we can not compute the atoms on the surface of protein, because pymol can not be imported
Traceback (most recent call last):
File "produce1xc6.py", line 6, in
pocket_block, _ = SplitPocket._split_pocket_with_surface_atoms(pro, lig, dist_cutoff)
File "/home/dmeng/protein/PocketFlow/pocket_flow/utils/process_raw.py", line 68, in _split_pocket_with_surface_atoms
protein.compute_surface_atoms()
File "/home/dmeng/protein/PocketFlow/pocket_flow/utils/ParseFile.py", line 465, in compute_surface_atoms
pymol.cmd.load(self.pdb_file)
NameError: name 'pymol' is not defined
BTW, I installed your env file successfully and can run your code of Molecular generation. Can you give some suggestions. Thanks.
The text was updated successfully, but these errors were encountered: