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.
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distributions
Built Distributions
File details
Details for the file mollib-1.0.9-cp36-cp36m-manylinux1_x86_64.whl.
File metadata
- Download URL: mollib-1.0.9-cp36-cp36m-manylinux1_x86_64.whl
- Upload date:
- Size: 1.0 MB
- Tags: CPython 3.6m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 5cc804f1de96ceb49d6a48c756154e998795e66811ed75ed02085df8f26f7ed3 |
|
| MD5 | 197682c19ae7cfa6cacea32b84e9a385 |
|
| BLAKE2b-256 | 0225913b168b4cc4d4dcf1d9c921cfb1d50d81ae56fdadaf9b504a2581f1c93e |
File details
Details for the file mollib-1.0.9-cp36-cp36m-manylinux1_i686.whl.
File metadata
- Download URL: mollib-1.0.9-cp36-cp36m-manylinux1_i686.whl
- Upload date:
- Size: 991.7 kB
- Tags: CPython 3.6m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 3a3ea8c31accc17d022bed10a91a3e9bb08ce328c486e7a4ce0da7bfba2b648e |
|
| MD5 | cd0ab5dd784b3d6fc0d7607e09c6180c |
|
| BLAKE2b-256 | 0640963f22616c6421595386cb1dfb7809ab443c5ea8a68342d01f4c9919ae31 |
File details
Details for the file 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.
File metadata
- Download URL: 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
- Upload date:
- Size: 756.3 kB
- Tags: 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
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 835bbec924c6b8869ced66a1f07e4f556e8f70e8f42cbe7334984b25864dbec8 |
|
| MD5 | 06d574b53940752b9af7d52577b33830 |
|
| BLAKE2b-256 | fc655f735d581e8a2dd1c089a343b4ad6c99a1000e6da447e547f9cb4d6598c9 |
File details
Details for the file mollib-1.0.9-cp35-cp35m-manylinux1_x86_64.whl.
File metadata
- Download URL: mollib-1.0.9-cp35-cp35m-manylinux1_x86_64.whl
- Upload date:
- Size: 1.0 MB
- Tags: CPython 3.5m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 58310a1caabf4d0c25e1b360e59c05ecdd36f06427bb4a0606293c80734872b7 |
|
| MD5 | d4f508ba6559fab714fc8f8116574c56 |
|
| BLAKE2b-256 | 462e17233b3445310c6d8f3d789a44d39b90c1ec42ec0c0599e321d3b8cf455e |
File details
Details for the file mollib-1.0.9-cp35-cp35m-manylinux1_i686.whl.
File metadata
- Download URL: mollib-1.0.9-cp35-cp35m-manylinux1_i686.whl
- Upload date:
- Size: 981.6 kB
- Tags: CPython 3.5m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | b5fdd5bdbcc922b6c13ee0201d25e0a35b74dcfaf077b8a1065760ba0a476a17 |
|
| MD5 | 38139908e27bee294662814aeedfcf94 |
|
| BLAKE2b-256 | 60dc3b0f781e9357a3396d7470f57fe33897b007f7047d8d4801937b9fafb289 |
File details
Details for the file 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.
File metadata
- Download URL: 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
- Upload date:
- Size: 752.4 kB
- Tags: 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
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 5c202364ba3a323573b091d1df707dda7f6713b290dd16e51f1135de1473e7e0 |
|
| MD5 | 87b961649bf1b06674019b351d2c6776 |
|
| BLAKE2b-256 | 259042e0ee547c77a14bffcdd25614b8cc46574752f6093a395570b00b7c5149 |
File details
Details for the file mollib-1.0.9-cp34-cp34m-manylinux1_x86_64.whl.
File metadata
- Download URL: mollib-1.0.9-cp34-cp34m-manylinux1_x86_64.whl
- Upload date:
- Size: 1.0 MB
- Tags: CPython 3.4m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 6e636e60b445abe3e3d7b5b9299a5180655dfedc7a1a87e2c8d8e785f51b32c7 |
|
| MD5 | 38fb64cd68122e39a9863cc29863a9e4 |
|
| BLAKE2b-256 | a0767f9b4bb1051a7548cd2cbe28c9bf5ba20564c053cd91f0f0e33b86df0e8b |
File details
Details for the file mollib-1.0.9-cp34-cp34m-manylinux1_i686.whl.
File metadata
- Download URL: mollib-1.0.9-cp34-cp34m-manylinux1_i686.whl
- Upload date:
- Size: 986.5 kB
- Tags: CPython 3.4m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | d36535af83aae71ac10232c3c784ce62c564a52ac0159d01b1ffc1d94c3bca80 |
|
| MD5 | 41cf36628695710de3537291bf351321 |
|
| BLAKE2b-256 | a723bfc2179137acffb8bc4b97e54600244f99ef456b696c00e482a95c4608d7 |
File details
Details for the file 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.
File metadata
- Download URL: 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
- Upload date:
- Size: 752.3 kB
- Tags: 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
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 2da77161ba21a8b2e358c7ffc951e64cde800e55b4c41bf878a092162d14f8f1 |
|
| MD5 | 9456e97d320491b28ff341f37d4eff66 |
|
| BLAKE2b-256 | 652b65a6584fd25ec6a47c5fa9390bf3efba648a183aa7a6c195b955061ac7a8 |
File details
Details for the file mollib-1.0.9-cp27-cp27m-manylinux1_x86_64.whl.
File metadata
- Download URL: mollib-1.0.9-cp27-cp27m-manylinux1_x86_64.whl
- Upload date:
- Size: 1.0 MB
- Tags: CPython 2.7m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 09e4b25d854f5b768876383c2311e0818cdaad1cf2a58125ba35bd4d2ed3f12e |
|
| MD5 | 11c5d3386ad1c5fb2b2a930f8a0f26fa |
|
| BLAKE2b-256 | 3535d4a9722905a5c906ef059f12165a6a2d4f034cbea2ae79b554ec8f661110 |
File details
Details for the file mollib-1.0.9-cp27-cp27m-manylinux1_i686.whl.
File metadata
- Download URL: mollib-1.0.9-cp27-cp27m-manylinux1_i686.whl
- Upload date:
- Size: 958.0 kB
- Tags: CPython 2.7m
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | c274c0d1a7e5c430a90f63b31784efd988e2dd6615ffa05a9b4f1329483099c7 |
|
| MD5 | 9255bc3eebce76bcbf26fb12985fc7bf |
|
| BLAKE2b-256 | dd4d9e9843d19c0e7127452c6a72a2e3be138a32546fd78edd1d19771b544b23 |
File details
Details for the file 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.
File metadata
- Download URL: 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
- Upload date:
- Size: 768.7 kB
- Tags: 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
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | e38f889ec3c6de51e01ab33496b5448d1232f3d58dbe588cbbbb1d9aa4b1f9f9 |
|
| MD5 | ac00f701dcd9c5b698798ce03a16976e |
|
| BLAKE2b-256 | 7eb49204947422b6c2092fc1547dbd4609cda3258f30d8c45b20773b8e4f49a9 |
