gemmi

library for structural biology

Project description

Library for macromolecular crystallography and structural bioinformatics. For working with coordinate files (mmCIF, PDB, mmJSON), refinement restraints (monomer library), electron density maps (CCP4), and crystallographic reflection data (MTZ, SF-mmCIF). It understands crystallographic symmetries, it knows how to switch between the real and reciprocal space and it can do a few other things.

The setup.py script builds only Python extension. Use cmake to build also a command-line program.

Project details

Release history Release notifications | RSS feed

This version

0.5.4

Apr 14, 2022

0.5.3

Mar 17, 2022

0.5.2

Jan 26, 2022

0.5.1

Dec 10, 2021

0.5.0

Nov 6, 2021

0.4.9

Sep 24, 2021

0.4.8

Aug 25, 2021

0.4.7

Jun 9, 2021

0.4.6

May 18, 2021

0.4.5

Mar 9, 2021

0.4.4

Jan 14, 2021

0.4.3

Nov 17, 2020

0.4.2

Aug 28, 2020

0.4.1

Jul 28, 2020

0.4.0.post1

Jul 3, 2020

0.4.0

Jul 2, 2020

0.3.8

May 29, 2020

0.3.7

May 20, 2020

0.3.6

Apr 2, 2020

0.3.5

Mar 12, 2020

0.3.4

Feb 12, 2020

0.3.3

Jan 17, 2020

0.3.2

Nov 26, 2019

0.3.1

Oct 3, 2019

0.3.0

Sep 20, 2019

0.2.8

Aug 8, 2019

0.2.7

Jun 17, 2019

0.2.4

May 31, 2019

0.2.3

May 30, 2019

0.2.2

Apr 12, 2019

0.2.1

Mar 1, 2019

0.2.0

Feb 8, 2019

0.1.7

Dec 10, 2018

0.1.6

Sep 13, 2018

0.1.5

Jul 20, 2018

0.1.4

Jul 4, 2018

0.1.3

May 31, 2018

0.1.2

Mar 2, 2018

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Source Distribution

gemmi-0.5.4.tar.gz (700.6 kB view hashes)

Uploaded Apr 14, 2022 source

Built Distributions

gemmi-0.5.4-pp39-pypy39_pp73-win_amd64.whl (4.0 MB view hashes)

Uploaded Apr 14, 2022 pp39

gemmi-0.5.4-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (5.7 MB view hashes)

Uploaded Apr 14, 2022 pp39

gemmi-0.5.4-pp39-pypy39_pp73-macosx_10_9_x86_64.whl (5.2 MB view hashes)

Uploaded Apr 14, 2022 pp39

gemmi-0.5.4-cp310-cp310-win_amd64.whl (1.9 MB view hashes)

Uploaded Apr 14, 2022 cp310

gemmi-0.5.4-cp310-cp310-musllinux_1_1_x86_64.whl (3.5 MB view hashes)

Uploaded Apr 14, 2022 cp310

gemmi-0.5.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.0 MB view hashes)

Uploaded Apr 14, 2022 cp310

gemmi-0.5.4-cp310-cp310-macosx_11_0_arm64.whl (2.4 MB view hashes)

Uploaded Apr 14, 2022 cp310

gemmi-0.5.4-cp310-cp310-macosx_10_9_x86_64.whl (2.7 MB view hashes)

Uploaded Apr 14, 2022 cp310

gemmi-0.5.4-cp39-cp39-win_amd64.whl (2.1 MB view hashes)

Uploaded Apr 14, 2022 cp39

gemmi-0.5.4-cp39-cp39-musllinux_1_1_x86_64.whl (3.5 MB view hashes)

Uploaded Apr 14, 2022 cp39

gemmi-0.5.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.0 MB view hashes)

Uploaded Apr 14, 2022 cp39

gemmi-0.5.4-cp39-cp39-macosx_11_0_arm64.whl (2.4 MB view hashes)

Uploaded Apr 14, 2022 cp39

gemmi-0.5.4-cp39-cp39-macosx_10_9_x86_64.whl (2.7 MB view hashes)

Uploaded Apr 14, 2022 cp39

gemmi-0.5.4-cp38-cp38-win_amd64.whl (1.9 MB view hashes)

Uploaded Apr 14, 2022 cp38

gemmi-0.5.4-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.0 MB view hashes)

Uploaded Apr 14, 2022 cp38

gemmi-0.5.4-cp38-cp38-macosx_11_0_arm64.whl (2.4 MB view hashes)

Uploaded Apr 14, 2022 cp38

gemmi-0.5.4-cp38-cp38-macosx_10_9_x86_64.whl (2.7 MB view hashes)

Uploaded Apr 14, 2022 cp38

gemmi-0.5.4-cp37-cp37m-win_amd64.whl (1.8 MB view hashes)

Uploaded Apr 14, 2022 cp37

gemmi-0.5.4-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.1 MB view hashes)

Uploaded Apr 14, 2022 cp37

gemmi-0.5.4-cp37-cp37m-macosx_10_9_x86_64.whl (2.6 MB view hashes)

Uploaded Apr 14, 2022 cp37

gemmi-0.5.4-cp36-cp36m-win_amd64.whl (1.9 MB view hashes)

Uploaded Apr 14, 2022 cp36

gemmi-0.5.4-cp36-cp36m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.1 MB view hashes)

Uploaded Apr 14, 2022 cp36

gemmi-0.5.4-cp36-cp36m-macosx_10_9_x86_64.whl (2.6 MB view hashes)

Uploaded Apr 14, 2022 cp36

gemmi-0.5.4-cp27-cp27mu-manylinux2010_x86_64.whl (2.8 MB view hashes)

Uploaded Apr 14, 2022 cp27

gemmi-0.5.4-cp27-cp27m-manylinux2010_x86_64.whl (2.8 MB view hashes)

Uploaded Apr 14, 2022 cp27

gemmi-0.5.4-cp27-cp27m-macosx_10_9_x86_64.whl (2.6 MB view hashes)

Uploaded Apr 14, 2022 cp27

Hashes for gemmi-0.5.4.tar.gz

Hashes for gemmi-0.5.4.tar.gz
Algorithm	Hash digest
SHA256	`51161f139ef73997309c09179e4055c8ffcfd96fcc1509f8a569ed198ff0665d`
MD5	`7b7d28233c1648e671a9ca6c1980988f`
BLAKE2-256	`f817fd072a26394bbb01c9562b0090fc9282e5ca208364754b36cf30153b52e9`

Hashes for gemmi-0.5.4-pp39-pypy39_pp73-win_amd64.whl

Hashes for gemmi-0.5.4-pp39-pypy39_pp73-win_amd64.whl
Algorithm	Hash digest
SHA256	`00bf10b7911fa5543662d4fe02422dee259f0c2e1b32948818139765d361abb0`
MD5	`e734d4dba369e59c49bc57681125e3e7`
BLAKE2-256	`d752561df927c23e6f12a3315946d41936240b3f1059bdacaf56c738c5c69bb3`

Hashes for gemmi-0.5.4-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for gemmi-0.5.4-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`fa7e956eda09aa5eef9515fb4b45b9b1c0d067f5ec3ca3d52a9550859988e19b`
MD5	`317e8827a030fbfcfad020314afde522`
BLAKE2-256	`424fc0814113c10a1bef981ccc9d58e68c21994cc05f9cc524b51c38066fd914`

Hashes for gemmi-0.5.4-pp39-pypy39_pp73-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-pp39-pypy39_pp73-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`e51114a86e3319ad287ddc5fe2cfaca02de77be244dce2cafe8cb0d6565b3d0f`
MD5	`91c0282613b010073a57e8540a9c5590`
BLAKE2-256	`18d01a6f551b957e99b87b2a69c04142cc12484158ad9e97782f8c7f3cfe6347`

Hashes for gemmi-0.5.4-cp310-cp310-win_amd64.whl

Hashes for gemmi-0.5.4-cp310-cp310-win_amd64.whl
Algorithm	Hash digest
SHA256	`ff77e2cc756c17bb0d595831880ab548c702a157492fd7a03e4e0982df611729`
MD5	`bf3ba292bdc23dc3ab5df964c2772d90`
BLAKE2-256	`af92b8678a72f53b1c7fbbb06e1b5624d19ced139d9f19f93396b46d4650ccf1`

Hashes for gemmi-0.5.4-cp310-cp310-musllinux_1_1_x86_64.whl

Hashes for gemmi-0.5.4-cp310-cp310-musllinux_1_1_x86_64.whl
Algorithm	Hash digest
SHA256	`c1db8025d9d2bb03144a01cdfd5b75e40f8252262c9754041874219a2286eee6`
MD5	`f2e860f61a47813bf9038a353e5bff80`
BLAKE2-256	`bd55a4c35b0b4af64f09dbf804c829df1c823ca7ec88ca1749af6180ad99637c`

Hashes for gemmi-0.5.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for gemmi-0.5.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`0eb29969d732f5b7b32f20ed19398669660d77371c121254b90c7f32c65a4391`
MD5	`567a300a808e6c0401fb69544ad11e42`
BLAKE2-256	`7e2cedc7d68067cc769844907e2da36785a5e6ccdf642a4958001d0644b51cd3`

Hashes for gemmi-0.5.4-cp310-cp310-macosx_11_0_arm64.whl

Hashes for gemmi-0.5.4-cp310-cp310-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`22d971735733065f73a78c3b2a6176e14b73f418212b7fdc0b11db795729534e`
MD5	`978534115b6e472f22a8d10660b5c14d`
BLAKE2-256	`d7fc630f4ddb5f5e9a68f8cca1457675d79eb6951dd8dcc1813ab788dc649654`

Hashes for gemmi-0.5.4-cp310-cp310-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-cp310-cp310-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`474784fbdbbebf20fc600227cfcb18981829283dfc4157c4a781315e497065c9`
MD5	`329a64d98b0dbcaf8d9962ca239791df`
BLAKE2-256	`fcb67f62137922cacb64cb7c3c65a6813183c9dbf18c56743ff04496856c9e59`

Hashes for gemmi-0.5.4-cp39-cp39-win_amd64.whl

Hashes for gemmi-0.5.4-cp39-cp39-win_amd64.whl
Algorithm	Hash digest
SHA256	`0bc59d9181c7ebe670e05da874e814db34e3bc10588a94676252807dc58363f4`
MD5	`e383c89bde1272758f26f5fc1039fa2c`
BLAKE2-256	`f4ef9dbe8ef4d72224b1f768f15597bc7d63a92e45bf167e13c8ebf5c759c6e2`

Hashes for gemmi-0.5.4-cp39-cp39-musllinux_1_1_x86_64.whl

Hashes for gemmi-0.5.4-cp39-cp39-musllinux_1_1_x86_64.whl
Algorithm	Hash digest
SHA256	`2e28151a7f483d0e7d3476883482a886430610aa0ee82e90a7060810f43a2867`
MD5	`5df7e3dd971227919eb3f0c9e23e5e6a`
BLAKE2-256	`7582dcef0f4314e04d5f79575def71f8311811f6699e3c36fd79153892515fd8`

Hashes for gemmi-0.5.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for gemmi-0.5.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`b5530f1a2b0e989ceee665cb939f16a0df5346960bcc207dbb5d104c927b1280`
MD5	`3bd3333c49fa84a6a1f4a55a10c0cccf`
BLAKE2-256	`92a588577ee7c9715f2f2f1e3fc81e892bffbb840598699063960957057a7995`

Hashes for gemmi-0.5.4-cp39-cp39-macosx_11_0_arm64.whl

Hashes for gemmi-0.5.4-cp39-cp39-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`eb1603b7a7ea8e70c317a34bee606e6556e1444a89412793411acb4da0e12af9`
MD5	`8962866a044b61b05714fb5da2f5fcb2`
BLAKE2-256	`d1ff8b5914f6ab4d7b3545a1099e5fc5f3f793cef92685e759efa487b6c4d068`

Hashes for gemmi-0.5.4-cp39-cp39-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-cp39-cp39-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`3827c9cf26f5e2786a1b5f6c796d67caad1125a73922fe27f6fba0ea13213239`
MD5	`6ffc2d0c214723854140458f2e159484`
BLAKE2-256	`17199135d06fdc0b4794326c0f020a658b053c9ceec94ecf272233e3de503129`

Hashes for gemmi-0.5.4-cp38-cp38-win_amd64.whl

Hashes for gemmi-0.5.4-cp38-cp38-win_amd64.whl
Algorithm	Hash digest
SHA256	`9efe4e9bff7bdea39220c8051f606d43d121191e8dba1a51ffa0a351833bdc83`
MD5	`635462227a10c7666f81d780b265e620`
BLAKE2-256	`85e7e3b59e8f3832dc8368de486fa527b8653a9123c1646d72dde64bd483f2c6`

Hashes for gemmi-0.5.4-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for gemmi-0.5.4-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`429c6003828f7c06aab8b6be36007961117e46ebbedc61c27e7dcb4d4303d47d`
MD5	`fad49e0876b44ab7a340b9dc4b2c0b93`
BLAKE2-256	`4ce427e116fbf2eea2606cc29d3e12f9bee397f36739a33e7cd673b0b60e55a9`

Hashes for gemmi-0.5.4-cp38-cp38-macosx_11_0_arm64.whl

Hashes for gemmi-0.5.4-cp38-cp38-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`16635366b0992a7c7bf087453214e5f8cf0bf11fa48ded65666620ac88f75b7a`
MD5	`58600812c4c58a35404dc9dcdc751b30`
BLAKE2-256	`9a2700586c50ea1c77d56f5b4bd32b3c8ca51761613bbdd4ab4828449321638c`

Hashes for gemmi-0.5.4-cp38-cp38-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-cp38-cp38-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`4810856da9a770a4f889579f11b58685f85c770dcd25a7b6ed125ed89df0b03d`
MD5	`4d76e4919be9dfcedd12bad4364c1a00`
BLAKE2-256	`58912b84026b4633850b732d24eb42ea90d205a665db0634f08d6f9729a975a2`

Hashes for gemmi-0.5.4-cp37-cp37m-win_amd64.whl

Hashes for gemmi-0.5.4-cp37-cp37m-win_amd64.whl
Algorithm	Hash digest
SHA256	`28a91f76e6357d8c9ec6af40ee3c32c2f93e3a0a9b1dc37937482c696f36b70d`
MD5	`bd433d579afd947da9d045af555f739d`
BLAKE2-256	`dda59b9833335b38730e20103557d943896c983406df688e48b3b1d5756af918`

Hashes for gemmi-0.5.4-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for gemmi-0.5.4-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`135d2f530d7ae1a31509689321ad2396f0937bbdf247c728529483921e7d8571`
MD5	`dfc90e297386ce541520cb695bd089d5`
BLAKE2-256	`ba63be97c983f4d05eb9834c63bc2af12ff079c91ca9e5704deadf6185470ab4`

Hashes for gemmi-0.5.4-cp37-cp37m-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-cp37-cp37m-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`00251c5cf2b888d4ad8e81b40ecb018396027227219b32a59ad2d334e156643f`
MD5	`e6d5c30d0bb83520b28abadc165cb0de`
BLAKE2-256	`6e409b2f5eb45200eed97427e0a3355f81e01cdcd020017fef5962e10b37a822`

Hashes for gemmi-0.5.4-cp36-cp36m-win_amd64.whl

Hashes for gemmi-0.5.4-cp36-cp36m-win_amd64.whl
Algorithm	Hash digest
SHA256	`269fbbd1c7ff3dc29e72786e5d5703d61be596a1281ea164a15bfa6f6f8ba8d1`
MD5	`e32ab3afeca7ea4faff35a35d1ed6ce4`
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Hashes for gemmi-0.5.4-cp36-cp36m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for gemmi-0.5.4-cp36-cp36m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`1f591cf70b694df4a6cb4658b3f8d60ad910a88e0d45d40b557f0bd2c247ef51`
MD5	`2472b68a1deb5a4c590636af47b3ae94`
BLAKE2-256	`3db6f337087726e77a4e60be19c67c44cea3daed83ba53729bcec15ab8275b1c`

Hashes for gemmi-0.5.4-cp36-cp36m-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-cp36-cp36m-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`2b243ae1a410407ec5b44acb970cb520d3f5ab073e1739a41c1bf2951a6eb335`
MD5	`e27db7c0d404e648927db0e7d782e4c3`
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Hashes for gemmi-0.5.4-cp27-cp27mu-manylinux2010_x86_64.whl

Hashes for gemmi-0.5.4-cp27-cp27mu-manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`841f29a047467a43e0f4d99f3e051a67f6e4d5a509359f78315f80ea96120abf`
MD5	`70231f47fbfc5b21458b2a77f41bc281`
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Hashes for gemmi-0.5.4-cp27-cp27m-manylinux2010_x86_64.whl

Hashes for gemmi-0.5.4-cp27-cp27m-manylinux2010_x86_64.whl
Algorithm	Hash digest
SHA256	`608580c86ce47d4be47b4ef4510d5c527d1a57dc84e73e8b3de2d27c4236c434`
MD5	`9892ce6dbe6ccff6cddfabb3d5f337ab`
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Hashes for gemmi-0.5.4-cp27-cp27m-macosx_10_9_x86_64.whl

Hashes for gemmi-0.5.4-cp27-cp27m-macosx_10_9_x86_64.whl
Algorithm	Hash digest
SHA256	`9f486b9433d3af2a765dfc1f021a760ed5006498c40286a3a2b072ee4f3fd976`
MD5	`1e03e6959c96f6b9c181699936164fad`
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