Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Document output of pdblist2fps_final_local.py script #53

Open
sverhoeven opened this issue Mar 28, 2018 · 1 comment
Open

Document output of pdblist2fps_final_local.py script #53

sverhoeven opened this issue Mar 28, 2018 · 1 comment

Comments

@sverhoeven
Copy link
Member

No description provided.

@sverhoeven
Copy link
Member Author

Output files:

  • directory called FRAGMENT_PPHORES with for each ligand a *._pphore.sd.gz with the pharmacophore and a *_pphores.txt file which lists which pharmacophore points are valid for which fragment
  • fragments.shelve

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant