Python wrapper for ICM docking command-line workflows

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for jhmlam from gravatar.com jhmlam

Unverified details

These details have not been verified by PyPI
Meta
  • Requires: Python >=3.10
Report project as malware

Project description

IcmDocking

Author: Jordy Homing Lam Copyright (C) 2024 Jordy Homing Lam, jhmlam, JHML. Ho Ming LAM. All rights reserved.

Acknowledgement

  • We would like to thank Ruben Abagyan, Eugene Raush and Maxim Totrov for writing the very powerful ICM program in Molsoft LLC.
  • We would like to thank Vsevolod Katritch for purchasing a license from Molsoft and teaching us how to use the program correctly.
  • JHML would like to thank Tessa Ferrari for testing this out together with me when we started on one of the docking projects that went to black hole.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for jhmlam from gravatar.com jhmlam

Unverified details

These details have not been verified by PyPI
Meta
  • Requires: Python >=3.10

Release history Release notifications | RSS feed

0.8.0

This version

0.7.0

0.6.0

0.5.0

0.3.0

0.2.0

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

pyicmdocking-0.7.0.tar.gz (14.1 kB view details)

Uploaded Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

pyicmdocking-0.7.0-py3-none-any.whl (16.4 kB view details)

Uploaded Python 3

File details

Details for the file pyicmdocking-0.7.0.tar.gz.

File metadata

  • Download URL: pyicmdocking-0.7.0.tar.gz
  • Upload date:
  • Size: 14.1 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.11.14

File hashes

Hashes for pyicmdocking-0.7.0.tar.gz
Algorithm Hash digest
SHA256 cda4d4bbd2abd785bc8da7c0dffd11f53772a89222c89c8aae0126bb7db74182
MD5 e0a57b597ddc8f53818e2aa29a6789ad
BLAKE2b-256 59f2c1ba44a1e7d317a13e75bf83413614115a21f2e0cdd1c08835ecd9a31bb4

See more details on using hashes here.

File details

Details for the file pyicmdocking-0.7.0-py3-none-any.whl.

File metadata

  • Download URL: pyicmdocking-0.7.0-py3-none-any.whl
  • Upload date:
  • Size: 16.4 kB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.11.14

File hashes

Hashes for pyicmdocking-0.7.0-py3-none-any.whl
Algorithm Hash digest
SHA256 64831e49c1e025a497620ec10923188cdd90129d37812a8651726b91d8a16360
MD5 0a049cf4223eef5e2405c92d2ee12998
BLAKE2b-256 0037c55fed09276f3c7c25088cbe1d8c9e882a1da3dfa223714c09dd352cbb8b

See more details on using hashes here.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page