mollib

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.

Release files for mollib 1.0.9

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Built distributions (wheels)

Table of built distributions (wheels) for mollib 1.0.9
File	Interpreter	ABI	Platform	Reset
mollib-1.0.9-cp36-cp36m-manylinux1_x86_64.whl 1.0 MB Sep 28, 2017	CPython 3.6	CPython 3.6 pymalloc	Linux glibc 2.5+ x86-64	Details
mollib-1.0.9-cp36-cp36m-manylinux1_i686.whl 991.7 kB Sep 28, 2017	CPython 3.6	CPython 3.6 pymalloc	Linux glibc 2.5+ x86-32	Details
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 Sep 28, 2017	CPython 3.6	CPython 3.6 pymalloc	macOS 10.6+ Intel (x86-64, i386), macOS 10.9+ Intel (x86-64, i386), macOS 10.9+ x86-64, macOS 10.10+ x86-64, macOS 10.10+ Intel (x86-64, i386)	Details
mollib-1.0.9-cp35-cp35m-manylinux1_x86_64.whl 1.0 MB Sep 28, 2017	CPython 3.5	CPython 3.5 pymalloc	Linux glibc 2.5+ x86-64	Details
mollib-1.0.9-cp35-cp35m-manylinux1_i686.whl 981.6 kB Sep 28, 2017	CPython 3.5	CPython 3.5 pymalloc	Linux glibc 2.5+ x86-32	Details
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 Sep 28, 2017	CPython 3.5	CPython 3.5 pymalloc	macOS 10.6+ Intel (x86-64, i386), macOS 10.9+ Intel (x86-64, i386), macOS 10.9+ x86-64, macOS 10.10+ x86-64, macOS 10.10+ Intel (x86-64, i386)	Details
mollib-1.0.9-cp34-cp34m-manylinux1_x86_64.whl 1.0 MB Sep 28, 2017	CPython 3.4	CPython 3.4 pymalloc	Linux glibc 2.5+ x86-64	Details
mollib-1.0.9-cp34-cp34m-manylinux1_i686.whl 986.5 kB Sep 28, 2017	CPython 3.4	CPython 3.4 pymalloc	Linux glibc 2.5+ x86-32	Details
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 Sep 28, 2017	CPython 3.4	CPython 3.4 pymalloc	macOS 10.6+ Intel (x86-64, i386), macOS 10.10+ x86-64, macOS 10.9+ Intel (x86-64, i386), macOS 10.9+ x86-64, macOS 10.10+ Intel (x86-64, i386)	Details
mollib-1.0.9-cp27-cp27m-manylinux1_x86_64.whl 1.0 MB Sep 28, 2017	CPython 2.7	CPython 2.7 pymalloc	Linux glibc 2.5+ x86-64	Details
mollib-1.0.9-cp27-cp27m-manylinux1_i686.whl 958.0 kB Sep 28, 2017	CPython 2.7	CPython 2.7 pymalloc	Linux glibc 2.5+ x86-32	Details
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 Sep 28, 2017	CPython 2.7	CPython 2.7 pymalloc	macOS 10.9+ x86-64, macOS 10.10+ x86-64, macOS 10.9+ Intel (x86-64, i386), macOS 10.6+ Intel (x86-64, i386), macOS 10.10+ Intel (x86-64, i386)	Details

Total release size: 11.1 MB

Release files / mollib-1.0.9-cp36-cp36m-manylinux1_x86_64.whl

Download URL	mollib-1.0.9-cp36-cp36m-manylinux1_x86_64.whl
Size	1.0 MB
Tags	CPython 3.6 CPython 3.6 pymalloc Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`5cc804f1de96ceb49d6a48c756154e998795e66811ed75ed02085df8f26f7ed3`
BLAKE2b-256 checksum How to use checksums	`0225913b168b4cc4d4dcf1d9c921cfb1d50d81ae56fdadaf9b504a2581f1c93e`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp36-cp36m-manylinux1_i686.whl

Download URL	mollib-1.0.9-cp36-cp36m-manylinux1_i686.whl
Size	991.7 kB
Tags	CPython 3.6 CPython 3.6 pymalloc Linux glibc 2.5+ x86-32
SHA-256 checksum How to use checksums	`3a3ea8c31accc17d022bed10a91a3e9bb08ce328c486e7a4ce0da7bfba2b648e`
BLAKE2b-256 checksum How to use checksums	`0640963f22616c6421595386cb1dfb7809ab443c5ea8a68342d01f4c9919ae31`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / 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

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
Size	756.3 kB
Tags	CPython 3.6 CPython 3.6 pymalloc macOS 10.10+ Intel (x86-64, i386) macOS 10.10+ x86-64 macOS 10.6+ Intel (x86-64, i386) macOS 10.9+ Intel (x86-64, i386) macOS 10.9+ x86-64
SHA-256 checksum How to use checksums	`835bbec924c6b8869ced66a1f07e4f556e8f70e8f42cbe7334984b25864dbec8`
BLAKE2b-256 checksum How to use checksums	`fc655f735d581e8a2dd1c089a343b4ad6c99a1000e6da447e547f9cb4d6598c9`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp35-cp35m-manylinux1_x86_64.whl

Download URL	mollib-1.0.9-cp35-cp35m-manylinux1_x86_64.whl
Size	1.0 MB
Tags	CPython 3.5 CPython 3.5 pymalloc Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`58310a1caabf4d0c25e1b360e59c05ecdd36f06427bb4a0606293c80734872b7`
BLAKE2b-256 checksum How to use checksums	`462e17233b3445310c6d8f3d789a44d39b90c1ec42ec0c0599e321d3b8cf455e`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp35-cp35m-manylinux1_i686.whl

Download URL	mollib-1.0.9-cp35-cp35m-manylinux1_i686.whl
Size	981.6 kB
Tags	CPython 3.5 CPython 3.5 pymalloc Linux glibc 2.5+ x86-32
SHA-256 checksum How to use checksums	`b5fdd5bdbcc922b6c13ee0201d25e0a35b74dcfaf077b8a1065760ba0a476a17`
BLAKE2b-256 checksum How to use checksums	`60dc3b0f781e9357a3396d7470f57fe33897b007f7047d8d4801937b9fafb289`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / 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

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
Size	752.4 kB
Tags	CPython 3.5 CPython 3.5 pymalloc macOS 10.10+ Intel (x86-64, i386) macOS 10.10+ x86-64 macOS 10.6+ Intel (x86-64, i386) macOS 10.9+ Intel (x86-64, i386) macOS 10.9+ x86-64
SHA-256 checksum How to use checksums	`5c202364ba3a323573b091d1df707dda7f6713b290dd16e51f1135de1473e7e0`
BLAKE2b-256 checksum How to use checksums	`259042e0ee547c77a14bffcdd25614b8cc46574752f6093a395570b00b7c5149`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp34-cp34m-manylinux1_x86_64.whl

Download URL	mollib-1.0.9-cp34-cp34m-manylinux1_x86_64.whl
Size	1.0 MB
Tags	CPython 3.4 CPython 3.4 pymalloc Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`6e636e60b445abe3e3d7b5b9299a5180655dfedc7a1a87e2c8d8e785f51b32c7`
BLAKE2b-256 checksum How to use checksums	`a0767f9b4bb1051a7548cd2cbe28c9bf5ba20564c053cd91f0f0e33b86df0e8b`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp34-cp34m-manylinux1_i686.whl

Download URL	mollib-1.0.9-cp34-cp34m-manylinux1_i686.whl
Size	986.5 kB
Tags	CPython 3.4 CPython 3.4 pymalloc Linux glibc 2.5+ x86-32
SHA-256 checksum How to use checksums	`d36535af83aae71ac10232c3c784ce62c564a52ac0159d01b1ffc1d94c3bca80`
BLAKE2b-256 checksum How to use checksums	`a723bfc2179137acffb8bc4b97e54600244f99ef456b696c00e482a95c4608d7`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / 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

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
Size	752.3 kB
Tags	CPython 3.4 CPython 3.4 pymalloc macOS 10.10+ Intel (x86-64, i386) macOS 10.10+ x86-64 macOS 10.6+ Intel (x86-64, i386) macOS 10.9+ Intel (x86-64, i386) macOS 10.9+ x86-64
SHA-256 checksum How to use checksums	`2da77161ba21a8b2e358c7ffc951e64cde800e55b4c41bf878a092162d14f8f1`
BLAKE2b-256 checksum How to use checksums	`652b65a6584fd25ec6a47c5fa9390bf3efba648a183aa7a6c195b955061ac7a8`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp27-cp27m-manylinux1_x86_64.whl

Download URL	mollib-1.0.9-cp27-cp27m-manylinux1_x86_64.whl
Size	1.0 MB
Tags	CPython 2.7 CPython 2.7 pymalloc Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`09e4b25d854f5b768876383c2311e0818cdaad1cf2a58125ba35bd4d2ed3f12e`
BLAKE2b-256 checksum How to use checksums	`3535d4a9722905a5c906ef059f12165a6a2d4f034cbea2ae79b554ec8f661110`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / mollib-1.0.9-cp27-cp27m-manylinux1_i686.whl

Download URL	mollib-1.0.9-cp27-cp27m-manylinux1_i686.whl
Size	958.0 kB
Tags	CPython 2.7 CPython 2.7 pymalloc Linux glibc 2.5+ x86-32
SHA-256 checksum How to use checksums	`c274c0d1a7e5c430a90f63b31784efd988e2dd6615ffa05a9b4f1329483099c7`
BLAKE2b-256 checksum How to use checksums	`dd4d9e9843d19c0e7127452c6a72a2e3be138a32546fd78edd1d19771b544b23`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No

Release files / 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

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
Size	768.7 kB
Tags	CPython 2.7 CPython 2.7 pymalloc macOS 10.10+ Intel (x86-64, i386) macOS 10.10+ x86-64 macOS 10.6+ Intel (x86-64, i386) macOS 10.9+ Intel (x86-64, i386) macOS 10.9+ x86-64
SHA-256 checksum How to use checksums	`e38f889ec3c6de51e01ab33496b5448d1232f3d58dbe588cbbbb1d9aa4b1f9f9`
BLAKE2b-256 checksum How to use checksums	`7eb49204947422b6c2092fc1547dbd4609cda3258f30d8c45b20773b8e4f49a9`
Upload date	Sep 28, 2017
Uploaded using Trusted Publishing? What is trusted publishing?	No