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

0.7.0

This version

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-0.6.0.tar.gz (13.9 kB view details)

Uploaded Source

Built Distribution

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

pyicmdocking-0.6.0-py3-none-any.whl (16.2 kB view details)

Uploaded Python 3

File details

Details for the file pyicmdocking-0.6.0.tar.gz.

File metadata

  • Download URL: pyicmdocking-0.6.0.tar.gz
  • Upload date:
  • Size: 13.9 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.11.14

File hashes

Hashes for pyicmdocking-0.6.0.tar.gz
Algorithm Hash digest
SHA256 d10193f1bc137f48f9fda21b4b670bdc1faaf20c2cb36bcdcde042484573973f
MD5 f45df624848e34203a73deba2f9e31d1
BLAKE2b-256 ce6f5fdf9afdab257a1ed52fdb1c072e9eca871784b81c3f477c428758c70734

See more details on using hashes here.

File details

Details for the file pyicmdocking-0.6.0-py3-none-any.whl.

File metadata

  • Download URL: pyicmdocking-0.6.0-py3-none-any.whl
  • Upload date:
  • Size: 16.2 kB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/6.2.0 CPython/3.11.14

File hashes

Hashes for pyicmdocking-0.6.0-py3-none-any.whl
Algorithm Hash digest
SHA256 71dacb868ec1869f88b244f27a53775053861de1b18da0bd86acb3109acf3257
MD5 c1d8b535c6bb04ef567d27bcd4d94e7f
BLAKE2b-256 93807a20632297d559e3942ede817787ca07a4af308729a4c468b3b92d3ff083

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