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mol2grid

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0.1.4 mol2grid-0.1.4-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
mol2grid-0.1.4-cp39-cp39-win_amd64.whl
mol2grid-0.1.4-cp39-cp39-macosx_10_14_x86_64.whl
mol2grid-0.1.4-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
mol2grid-0.1.4-cp38-cp38-win_amd64.whl
mol2grid-0.1.4-cp38-cp38-macosx_10_14_x86_64.whl
mol2grid-0.1.4-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
mol2grid-0.1.4-cp37-cp37m-win_amd64.whl
mol2grid-0.1.4-cp37-cp37m-macosx_10_14_x86_64.whl

Wheel Details

Project: mol2grid
Version: 0.1.4
Filename: mol2grid-0.1.4-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Download: [link]
Size: 149412
MD5: 14a834d1d8ba01957fbf91962ca3eae0
SHA256: 984500bdbd8ffadee776e6db64e6cfdc7c6f6da2d5b062cdc6544eaf31a25bcb
Uploaded: 2021-05-19 15:43:21 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: mol2grid
Version: 0.1.4
Summary: Python package to insert a ligand in a 3D grid, created based on its respective receptor, considering each atom type as an integer
Author: João Victor da Silva Guerra
Author-Email: jvsguerra[at]gmail.com
Home-Page: https://github.com/LBC-LNBio/mol2grid
Project-Url: Source, https://github.com/LBC-LNBio/mol2grid/
Project-Url: Issues, https://github.com/LBC-LNBio/mol2grid/issues
Keywords: structural biology,proteins
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3 :: Only
Requires-Python: >=3.7, <4
Requires-Dist: toml (>=0.10.2)
Requires-Dist: numpy (>=1.20.3)
Description-Content-Type: text/x-rst
[Description omitted; length: 7938 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: false
Tag: cp39-cp39-manylinux_2_12_x86_64
Tag: cp39-cp39-manylinux2010_x86_64

RECORD

Path Digest Size
_mol2grid.cpython-39-x86_64-linux-gnu.so sha256=wNOUZgGvg9AwnFUVDCHdVAW8VlPW01zkM9dogTzr_fA 252448
mol2grid/main.py sha256=m-FYzivTg053Z4D3qLP_7jPO63Zng8ZkDdSKigXrpVc 15636
mol2grid/__init__.py sha256=dupwX9qw2-a80TBTLJlji7-Yww4wl_wSf4BNH54A7yM 189
mol2grid/utils.py sha256=QH0rzfnfbDfAtGLLYy9c3R_xyPYitWHxp5S5w_w1L0A 14979
mol2grid/data/vdw.dat sha256=_9CxHIjllEgtVWTjdwC9XykfsWWzfoz_Vj5Gs-cXhkE 10155
mol2grid/data/catalog.dat sha256=8pGWOgljbXPeO0Jw-Fzz8e8Lej3pQD6nk3-e4rTAE0M 219
mol2grid-0.1.4.dist-info/RECORD — —
mol2grid-0.1.4.dist-info/METADATA sha256=SFfUAvSOdZGLGpGCcWqEz6xe34CbiDKUC4lrEx-EBx8 9196
mol2grid-0.1.4.dist-info/top_level.txt sha256=r4L3Sgu4o6P2PM5WO32WvXV7kf-ieCxZ2h-zQTD8aew 19
mol2grid-0.1.4.dist-info/WHEEL sha256=u068djhQadWB5Cpg73zJkoU_srgtd6zcF9RJVkaqWXU 148
mol2grid-0.1.4.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
mol2grid-0.1.4.dist-info/entry_points.txt sha256=PZSMNGPpRRmgIg_tC9Rkg3hwYfsLQJYrFNnoFANGlt8 85
mol2grid.libs/libgomp-f7e03b3e.so.1.0.0 sha256=GzmXB1qluHXQUhlsmNKuWncNm8Jezfq1jt5rKrV_8kQ 93080

top_level.txt

_mol2grid
mol2grid

entry_points.txt

[console_scripts]
lig2grid = mol2grid.main:cli_l2g
rec2grid = mol2grid.main:cli_r2g