Skip to main content

No project description provided

Project description

Mollib is a unified command-line program and Python library for the validation, quality analysis and manipulation of molecular structures with an emphasis on biophysical analysis. Mollib is built on a plugin framework to easily add new tools to manipulate and analyze structures and data, which can then be combined and cross-validated.

Mollib includes tools for:

  • The processing and protonation of molecules.
  • The analysis of hydrogen bonds and hydrogen bond quality compared to the highest-resolution PDB structures. Hydrogen bonds are classified based on their acceptor-donor residues and Ramachandran angles
  • The measurement of geometries within molecules as well as the reporting and classification of Ramachandran angles.
  • The statistical analysis and comparison of structures to high-resolution crystal structures.
  • The analysis of partial alignment data with residual dipolar coupling (RDC) and residual anisotropic chemical shift (RACS, a.k.a RCSA) data.

Project details


Release history Release notifications

This version
History Node

1.0.9

History Node

1.0.8

History Node

1.0.7

History Node

1.0.6

History Node

1.0.5

History Node

1.0.2

History Node

1.0.1

History Node

1.0

Download files

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

Filename, size & hash SHA256 hash help File type Python version Upload date
mollib-1.0.9-cp27-cp27m-macosx_10_6_intel.macosx_10_9_intel.macosx_10_9_x86_64.macosx_10_10_intel.macosx_10_10_x86_64.whl (768.7 kB) Copy SHA256 hash SHA256 Wheel cp27 Sep 28, 2017
mollib-1.0.9-cp27-cp27m-manylinux1_i686.whl (958.0 kB) Copy SHA256 hash SHA256 Wheel cp27 Sep 28, 2017
mollib-1.0.9-cp27-cp27m-manylinux1_x86_64.whl (1.0 MB) Copy SHA256 hash SHA256 Wheel cp27 Sep 28, 2017
mollib-1.0.9-cp34-cp34m-macosx_10_6_intel.macosx_10_9_intel.macosx_10_9_x86_64.macosx_10_10_intel.macosx_10_10_x86_64.whl (752.3 kB) Copy SHA256 hash SHA256 Wheel cp34 Sep 28, 2017
mollib-1.0.9-cp34-cp34m-manylinux1_i686.whl (986.5 kB) Copy SHA256 hash SHA256 Wheel cp34 Sep 28, 2017
mollib-1.0.9-cp34-cp34m-manylinux1_x86_64.whl (1.0 MB) Copy SHA256 hash SHA256 Wheel cp34 Sep 28, 2017
mollib-1.0.9-cp35-cp35m-macosx_10_6_intel.macosx_10_9_intel.macosx_10_9_x86_64.macosx_10_10_intel.macosx_10_10_x86_64.whl (752.4 kB) Copy SHA256 hash SHA256 Wheel cp35 Sep 28, 2017
mollib-1.0.9-cp35-cp35m-manylinux1_i686.whl (981.6 kB) Copy SHA256 hash SHA256 Wheel cp35 Sep 28, 2017
mollib-1.0.9-cp35-cp35m-manylinux1_x86_64.whl (1.0 MB) Copy SHA256 hash SHA256 Wheel cp35 Sep 28, 2017
mollib-1.0.9-cp36-cp36m-macosx_10_6_intel.macosx_10_9_intel.macosx_10_9_x86_64.macosx_10_10_intel.macosx_10_10_x86_64.whl (756.3 kB) Copy SHA256 hash SHA256 Wheel cp36 Sep 28, 2017
mollib-1.0.9-cp36-cp36m-manylinux1_i686.whl (991.7 kB) Copy SHA256 hash SHA256 Wheel cp36 Sep 28, 2017
mollib-1.0.9-cp36-cp36m-manylinux1_x86_64.whl (1.0 MB) Copy SHA256 hash SHA256 Wheel cp36 Sep 28, 2017

Supported by

Elastic Elastic Search Pingdom Pingdom Monitoring Google Google BigQuery Sentry Sentry Error logging CloudAMQP CloudAMQP RabbitMQ AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page