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


Download files

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

Source Distributions

No source distribution files available for this release.See tutorial on generating distribution archives.

Built Distributions

mollib-1.0.7-cp36-cp36m-manylinux1_x86_64.whl (1.0 MB view hashes)

Uploaded CPython 3.6m

mollib-1.0.7-cp36-cp36m-manylinux1_i686.whl (988.5 kB view hashes)

Uploaded CPython 3.6m

mollib-1.0.7-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 (748.5 kB view hashes)

Uploaded CPython 3.6m macOS 10.10+ intel macOS 10.10+ x86-64 macOS 10.6+ intel macOS 10.9+ intel macOS 10.9+ x86-64

mollib-1.0.7-cp35-cp35m-manylinux1_x86_64.whl (1.0 MB view hashes)

Uploaded CPython 3.5m

mollib-1.0.7-cp35-cp35m-manylinux1_i686.whl (978.2 kB view hashes)

Uploaded CPython 3.5m

mollib-1.0.7-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 (745.0 kB view hashes)

Uploaded CPython 3.5m macOS 10.10+ intel macOS 10.10+ x86-64 macOS 10.6+ intel macOS 10.9+ intel macOS 10.9+ x86-64

mollib-1.0.7-cp34-cp34m-manylinux1_x86_64.whl (1.0 MB view hashes)

Uploaded CPython 3.4m

mollib-1.0.7-cp34-cp34m-manylinux1_i686.whl (1.0 MB view hashes)

Uploaded CPython 3.4m

mollib-1.0.7-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 (746.1 kB view hashes)

Uploaded CPython 3.4m macOS 10.10+ intel macOS 10.10+ x86-64 macOS 10.6+ intel macOS 10.9+ intel macOS 10.9+ x86-64

mollib-1.0.7-cp27-cp27m-manylinux1_x86_64.whl (997.9 kB view hashes)

Uploaded CPython 2.7m

mollib-1.0.7-cp27-cp27m-manylinux1_i686.whl (955.0 kB view hashes)

Uploaded CPython 2.7m

mollib-1.0.7-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 (756.6 kB view hashes)

Uploaded CPython 2.7m macOS 10.10+ intel macOS 10.10+ x86-64 macOS 10.6+ intel macOS 10.9+ intel macOS 10.9+ x86-64

Supported by

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