biology/molden: 5.4 -> 5.7
- Adds editable text fields that are longer than the visible string and introduces a new way of selecting a range of amino acids. - introduces interfaces to the open source packages openbabel and pharmer. Openbabel is used to create 2D images of the molecules in a .sdf file. It is also used to do 2D fingerprint searching. Pharmer is used to pharmacophore (3D) searching against indexed databases of .sdf files.
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svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=420890
2 changed files with 4 additions and 6 deletions
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@ -2,8 +2,7 @@
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# $FreeBSD$
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PORTNAME= molden
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PORTVERSION= 5.4
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PORTREVISION= 1
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PORTVERSION= 5.7
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PORTEPOCH= 1
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CATEGORIES= biology
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MASTER_SITES= ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/
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@ -16,8 +15,6 @@ RESTRICTED= free for academic, non profit usage; do not re-distribute source and
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WRKSRC= ${WRKDIR}/${PORTNAME}${PORTVERSION}
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BROKEN= does not fetch
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USES= fortran gmake
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USE_XORG= x11
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USE_GL= glu
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@ -1,2 +1,3 @@
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SHA256 (molden5.4.tar.gz) = dbcbb1612673a41bf88acf51bf258493d595c85c11e386485f66da26cd01c25b
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SIZE (molden5.4.tar.gz) = 4921271
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TIMESTAMP = 1472043944
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SHA256 (molden5.7.tar.gz) = 72c3568013a9804d8b50b6a88da4571f9d5c685ab25a740702aa119562bcf21c
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SIZE (molden5.7.tar.gz) = 4958169
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