Sherif Elsabbagh
Sherif Elsabbagh
I can see the frames.pdb file but the models are not there
hi i follow the following instructions: pip install git+https://github.com/meddwl/pharmd.git@cgr pip install git+https://github.com/meddwl/psearch.git@gen_pharms (The pmapper package will be installed automatically) pip install CGRtools pip install git+https://github.com/stsouko/PharmaContacts.git
what can I do ?
can i get help ?
i tried the solution but there is also error with charges Exception: invalid charges found on atom: 1617 [[H]C([H])([H])[S+]C([H])([H])C([H])([H])C([H])(N([H])C)C(N)=O]
one another thing, i tried installing the dependancies using the follwiung command conda env create --name pharmd --file pharmd.yml but i got the following error - freetype==2.12.1=h267a509_2 - pthread-stubs==0.4=h36c2ea0_1001 -...
is there any solution ?
I don't have experience in handling such errors and I have no idea how to extract features from MD using ProliF. I think I will wait till there is a...
> There is a way to override the erros with charges, you can comment these lines inside md2pharm.py: > > ``` > #for n, c in cmol._charges.items(): > #if n...
