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New port: biology/prodigy-lig: Prediction of protein-small molecule binding affinities

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This commit is contained in:
Yuri Victorovich 2019-02-03 18:49:23 +00:00
parent a1bcae4a2a
commit 540f58a8fb
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=492059
4 changed files with 34 additions and 0 deletions
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1
biology/Makefile
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@ -102,6 +102,7 @@
SUBDIR += plinkseq
SUBDIR += primer3
SUBDIR += prodigal
SUBDIR += prodigy-lig
SUBDIR += protomol
SUBDIR += psi88
SUBDIR += py-Genesis-PyAPI

25
biology/prodigy-lig/Makefile Normal file
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@ -0,0 +1,25 @@
# $FreeBSD$
PORTNAME= prodigy-lig
DISTVERSIONPREFIX= v
DISTVERSION= 1.0.0-3
DISTVERSIONSUFFIX= -g152ac59
CATEGORIES= biology python
MAINTAINER= yuri@FreeBSD.org
COMMENT= Prediction of protein-small molecule binding affinities
LICENSE= APACHE20
LICENSE_FILE= ${WRKSRC}/LICENSE
BUILD_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}biopython>0:biology/py-biopython@${PY_FLAVOR}
USES= gmake python:3.5+
USE_GITHUB= yes
GH_ACCOUNT= haddocking
USE_PYTHON= distutils noflavors autoplist
NO_ARCH= yes
.include <bsd.port.mk>

3
biology/prodigy-lig/distinfo Normal file
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@ -0,0 +1,3 @@
TIMESTAMP = 1549219115
SHA256 (haddocking-prodigy-lig-v1.0.0-3-g152ac59_GH0.tar.gz) = abf9e9e0baf2e91d306e3a297705f2c5a50149b145cdf64b990e25d9efa28731
SIZE (haddocking-prodigy-lig-v1.0.0-3-g152ac59_GH0.tar.gz) = 155336

5
biology/prodigy-lig/pkg-descr Normal file
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@ -0,0 +1,5 @@
PRODIGY-LIG (PROtein binDIng enerGY prediction - LIGands) is a structure-based
method for the prediction of binding affinity in protein-small ligand (such as
drugs or metabolites) complexes.
WWW: https://nestor.science.uu.nl/prodigy/lig