Wheelodex » Projects » read-structure-step

read-structure-step

View on PyPI — Reverse Dependencies (2)

2024.11.13 read_structure_step-2024.11.13-py2.py3-none-any.whl

Wheel Details

Project: read-structure-step
Version: 2024.11.13
Filename: read_structure_step-2024.11.13-py2.py3-none-any.whl
Download: [link]
Size: 146889
MD5: 08d7c765e8e3e93d3125aa83e5230487
SHA256: a8625866c2cb9f1893a043e6dcfcabbeac29436f7cf14a0a18a8ef7b422f1a2f
Uploaded: 2024-11-13 23:17:01 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe

METADATA

Metadata-Version: 2.1
Name: read_structure_step
Version: 2024.11.13
Summary: A SEAMM plug-in to read common formats in computational chemistry
Author: Eliseo Marin-R-Rimoldi
Author-Email: meliseo[at]vt.edu
Home-Page: https://github.com/molssi-seamm/read_structure_step
License: BSD-3-Clause
Keywords: SEAMM,plug-in,flowchart,Open Babel,molecules,atomistic,files
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Platform: Windows
Requires-Dist: seamm
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: AUTHORS.rst
[Description omitted; length: 7129 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.5.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
read_structure_step/__init__.py sha256=b40BSomyq5k6Eyozst7T1uYKmz1cocJ_0pNrFlay97c 1251
read_structure_step/_version.py sha256=T7XBpcDzH-cFCMaqAQeRDxL5AEnhC-rJkRLxFR0oh3k 502
read_structure_step/errors.py sha256=kSf_ynfoZAjewALzqclD-M6Gog3EBh5zpCvd9nOg3WI 741
read_structure_step/read.py sha256=y64g3BoAw9Ad82WG3rEUAUe1s9JsjJctsdGqTSkNvI8 3758
read_structure_step/read_structure.py sha256=j67HKAEvJfCh4dhoJq4gH85BKNo5Z32oC68viioVrnc 16473
read_structure_step/read_structure_parameters.py sha256=7yykJVam7ibjuxtHRRe-OSg-YeO6t490CeoU6HsN_kY 3456
read_structure_step/read_structure_step.py sha256=NRJ6z-vwyby-0MCKk0Y3ldjTcjpqncWhuN04NGq0Zyw 1727
read_structure_step/tk_read_structure.py sha256=1elV4Wb4VK8HXMpfMOcVue-C1C-3NGsuqV63APt_ChI 6268
read_structure_step/tk_write_structure.py sha256=QLbzLJnatweTMu8hc-xH9HbDHGhYVSTsiRXNoqB8oXg 4245
read_structure_step/utils.py sha256=b9LhAWJGcQj8FNnyM9dPakjASCA32Ee5HgekVNDTjiA 3035
read_structure_step/write.py sha256=-ectgxsym-bpQh8F2VHMGK2LwucS2bDjrgF_aLNgO8k 2038
read_structure_step/write_structure.py sha256=T97FDFa6UWv3XYrq1Acn4PpMYpgZsF5JIttrBtEpaao 10175
read_structure_step/write_structure_parameters.py sha256=zWRI1b3gtEZ3V_evWtEzMA1tte-2jAAVEY5p5zCz3ds 4657
read_structure_step/write_structure_step.py sha256=Jr6WqXLxGH3pEkaGbXdzJj0LdK3GGBqfsQyFQrFSxE4 1733
read_structure_step/data/references.bib sha256=XpCmkTtFzDjU92xpxqTPAAff5SytHuK83GbrpdwJqE0 2085
read_structure_step/formats/__init__.py sha256=V-5TOglg4cD0myKSgX0ue-zryz8MDGUzM5kw8xBTZlw 1167
read_structure_step/formats/registries.py sha256=2XbvZfU5fjbwobJVJDZ0gqVZy0HKFZDsCO59sh0E8TU 6049
read_structure_step/formats/which.py sha256=f21ASaYbyUWc3z-_rcVE_-HkSngYRAJWZSE7ByrDdfA 470
read_structure_step/formats/cif/__init__.py sha256=ANywg3qN1F-VOzN3jgYGkRYJiXLeRukp-ZaBmMYtXHc 66
read_structure_step/formats/cif/cif.py sha256=Ivw-73RnwxW1eNGlmDIq1pOO65vHRT2Xr2E1-oqG650 14595
read_structure_step/formats/cif/mmcif.py sha256=HYPa5mFzeL2cxDTtGEW_-8WruEtrPznjA27VLWriLdo 11364
read_structure_step/formats/mol2/__init__.py sha256=IOaSi4csyPneiURSCSZT9TzpAC1UYJxYxWLNXTKJdVk 33
read_structure_step/formats/mol2/mol2.py sha256=qCbbyTC6j_LoxX8cTwbTJmjAUwQOfqobKhCgxVvXIDA 9754
read_structure_step/formats/mop/__init__.py sha256=yuuyPQj3WYXh15UvcN92w31AmbpCBYAVqozhnTEXC2c 4278
read_structure_step/formats/mop/find_mopac.py sha256=XGv806GOPqkSSZixiQ8qeq9AG2IkFySYsTJnZQ0VLvk 2029
read_structure_step/formats/mop/obabel.py sha256=qJoVmCFO3bOLpdcdXcg_hkPCO1lW6fpLMVRIkpe-stQ 25233
read_structure_step/formats/openbabel_io/__init__.py sha256=rHTuM-VLRqjhnQkAjjJG7e-jJlGqWSEx45ph7UWpOkA 419
read_structure_step/formats/openbabel_io/checkers.py sha256=tYLraA6kErHD1AM-zO6rZ1umV7apDgkBdL7yKTQYZWc 2019
read_structure_step/formats/openbabel_io/obabel.py sha256=IN_3pr_BbuOERL6C3bkU6Ki9jqgwTpOzFTiGLgT1kiY 11223
read_structure_step/formats/sdf/__init__.py sha256=4NSnCMwaKmUZ_v_i8_cIyarvljl1kA_mdXrtOd1VNn4 32
read_structure_step/formats/sdf/sdf.py sha256=tNZdhi2r6CZrqlf2iso8vi818EXVYjOU_NGteQExE7c 17968
read_structure_step/formats/smi/__init__.py sha256=R-dLldBMK1QmhcW15_TMC9IzGHESsRdMpxFUyLJkQu8 32
read_structure_step/formats/smi/smi.py sha256=-ygEEv7n_mNKdjvQec9mmRoPCPDNkNmqD8pA5q-BJlQ 10067
read_structure_step/formats/xyz/__init__.py sha256=1XfO3X6emPtugmgV1HVOI0DvowW32JyrMDlfyvfHNhU 934
read_structure_step/formats/xyz/xyz.py sha256=N2_hofilVwFoMXlGHHeMU3AO6zbkOfWLUOmVgE4Yl1M 19714
tests/__init__.py sha256=W-I99AyPYAwZCJjQ6RUSjkVDINVgsfLyh8iqfAdH3FU 74
tests/build_filenames.py sha256=3uYJfCL5mJbUz9IVngJ8E9aErBH0cXZg1CUBQv5R5Sw 513
tests/methylidyne.mop sha256=eidFLTOpmxY4qAwe75eXX7otVcslABPykDL-DohQLZg 296
tests/mopac_exists.py sha256=MrL9Y8aqNmU493u8MiDMN8jcWx6yMy-_VACjJI4Yh-8 499
tests/test_cif.py sha256=lisi1G0sQfLywtTsK-Qij_uwxb99V9byEhMlNh-QcvA 1909
tests/test_formats.py sha256=J-yev0bDUa4pKN6H5T7-DfXZVz_MUzN1QxG4RZnJC0s 10371
tests/test_read_structure_step.py sha256=mVK-CATKMh3vPBjuHhMtV0TQcR8afUw2GGrt5Tg0psI 1215
tests/test_utils.py sha256=D1cGulmig9sm27YGzEg7HiCDrrct5lGE-fSv6XdRU88 1723
tests/data/3TR_model.json sha256=1BeHsXjHCMDjgdI_9E-SSsNAaVetD37bt_KuG_8DNMk 540
tests/data/3TR_model.mol2 sha256=eFu5VSsl5qpS1qPnagGb-SXtDsSrkdHtyD2ZwjopiW8 1092
tests/data/3TR_model.pdb sha256=w3AEKoWnai3UZGxhuOOpEW-545RN1Qvi4QMqU7bRE_4 1058
tests/data/3TR_model.sdf sha256=hQgprI9jXIGYL31nEpMwPVwEsQZ9Xa4VHClen0rRVkU 927
tests/data/3TR_model.sdf.bz2 sha256=gYFci3FlJDJk1AWKKae1sWK-7M2pZn9LPx0PdvQh1v4 288
tests/data/3TR_model.sdf.gz sha256=66b66vyKcAQl2c-0tvBtQOXTW3nxS5SPBI9KfTckF-w 298
tests/data/3TR_model.xyz sha256=XI75erabBVC8JCpIBODgNiTQRR6dnpoL_mLvYkMz2i8 394
tests/data/3TR_model_MN.xyz sha256=RqcjMiDhNpz4ofVkcrVPJc0RykcsW44WBiH5xgduD-U 426
tests/data/ABENEB01.cif sha256=Nxpiy6mh87XmtIq52Ge7XmLHVAY8LSvYlTokgHrFxOY 26254
tests/data/Cr_ACETCR.mop sha256=zQulMPHmRDhomk6FJpJyXJE0n19T5ksybywdZa6ZAiM 3476
tests/data/Cu(II)4Br10(2-) (CIVNAW10).mop sha256=4cEc9_wzYwy8VKbX_N8A3-OmJYEWXVup3xEJV0ZLi0E 1312
tests/data/RM1 63 Europium, CCDC entry LAPJAN.mop sha256=Tk-DZ501oaPPunZw9FYh5ZvjPFyvFFNoQQFdKmsznFY 5667
tests/data/acetonitrile.mop sha256=rjdy0ppqJBgxA-fE1GsI7m38_dfVbSUbkukb4WlXpcQ 658
tests/data/benzene.cif sha256=esrg8atACzwmYKrUfTsRrJ_YD999TumJmoxOTgOFQXM 7801
tests/data/lithium fluoride, trimer.mop sha256=6Ufvi9DAs5yDwFRQ4gJlf7Rse6nwN-bweUtJBtmohtc 661
tests/data/methylidyne.mop sha256=eidFLTOpmxY4qAwe75eXX7otVcslABPykDL-DohQLZg 296
tests/data/potassium fluoride, dimer.mop sha256=cnirEAJjZ20AZF-z755nNKOggXFrxVL2yApDQByfIqA 403
tests/data/spc sha256=pjnWr1TgyU0XwHYnMHeDFOL6GbNwowW-oXQC0zLCYWY 258
tests/data/spc.xyz sha256=pjnWr1TgyU0XwHYnMHeDFOL6GbNwowW-oXQC0zLCYWY 258
tests/data/tmQM_test.cif sha256=EHRw9BItxnVlUpleLs7UqzWfmmpqZXAer4iNokil7PY 28084
tests/data/tmQM_test.cif.bz2 sha256=L_-fAu2_PnXF7lkX3mFqgllvb2fV1Tw5eJJXjg4dOvA 7033
tests/data/tmQM_test.cif.gz sha256=mmaN-hjcdrJ8gkyiwALdb7q8AoKsJAvYGZ7lvl9P5FM 8007
tests/data/tmQM_test.xyz.bz2 sha256=JuAX5uwhpr42WXNnvFjJcKuWWS7Ihr_GdJcMllINx1A 13395
tests/data/tmQM_test.xyz.gz sha256=eeF0DPbaj5HcggwWXmubz8XN0da4dHUto72FTobvL8s 16514
read_structure_step-2024.11.13.dist-info/AUTHORS.rst sha256=JP53s22F35_FpCjxX9LZIKwyS83dyd011zbtWte3Qqc 166
read_structure_step-2024.11.13.dist-info/LICENSE sha256=K4N_CuNfMAO8vhOYRmqv3hOG2xf7dQqZ0pzFsjRn-Nk 1524
read_structure_step-2024.11.13.dist-info/METADATA sha256=6dBN3t-I-6DRE8H96wTb-rG3TKGHUM2PQJKm2CyuhWE 8128
read_structure_step-2024.11.13.dist-info/WHEEL sha256=0VNUDWQJzfRahYI3neAhz2UVbRCtztpN5dPHAGvmGXc 109
read_structure_step-2024.11.13.dist-info/entry_points.txt sha256=9DMwGYUqv91p8VpJ4HuA-QgE1ccbtyIgCym7gxvvjJA 266
read_structure_step-2024.11.13.dist-info/top_level.txt sha256=H5egzRqMudVNze_fP8Y7eNL5MTWwvqyt_AC5mTzhLLM 26
read_structure_step-2024.11.13.dist-info/zip-safe sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs 1
read_structure_step-2024.11.13.dist-info/RECORD — —

top_level.txt

read_structure_step
tests

entry_points.txt

[org.molssi.seamm]
Read Structure = read_structure_step:ReadStructureStep
Write Structure = read_structure_step:WriteStructureStep
[org.molssi.seamm.tk]
Read Structure = read_structure_step:ReadStructureStep
Write Structure = read_structure_step:WriteStructureStep

zip-safe