science/coordgenlibs 3.0.2
Schrodinger-developed 2D coordinate generation
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
f948e41e42- License
- BSD3CLAUSE
- Categories
- science
- Package size
- 256.5 KiB, 861.8 KiB installed
Description
This is Schrodinger, Inc's 2D coordinate generation. The emphasis of these algorithms are on quality of 2D coordinates rather than speed of generation. The algorithm distinguishes itself from many others by doing well with both macrocycles and metal complexes. It also does extremely well on typical drug-like small molecules, and has been validated on millions of compounds.
Install
As a binary package — by origin, or by package name:
pkg install science/coordgenlibs
pkg install coordgenlibsFrom the ports tree:
cd /usr/ports/science/coordgenlibs/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= coordgenlibs>0:science/coordgenlibs
LIB_DEPENDS= libcoordgen.so:science/coordgenlibsPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 3.0.2 | 3.0.2 | 3.0.1 | 3.0.2 | 3.0.2 |
| FreeBSD:14:quarterly | 3.0.2 | 3.0.2 | n/a | 3.0.2 | 3.0.2 |
| FreeBSD:15:latest | 3.0.2 | 3.0.2 | n/a | 3.0.2 | 3.0.2 |
| FreeBSD:15:quarterly | 3.0.2 | 3.0.2 | n/a | n/a | n/a |
| FreeBSD:16:latest | 3.0.2 | 3.0.2 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 1
${LOCALBASE}/include/boost/dynamic_bitset.hpp: devel/boost-libs
Library 1
libmaeparser.so: science/maeparser
The full lists below include those, and their dependencies in turn.
All build dependencies 20
All run dependencies 5
Configuration
No options to configure.
- USES
- cmake:testing compiler:c++11-lang localbase:ldflags
- Service scripts
- none
Files
pkg-plist 26
- include/coordgen/CoordgenConfig.hpp
- include/coordgen/CoordgenFragmentBuilder.h
- include/coordgen/CoordgenFragmenter.h
- include/coordgen/CoordgenMacrocycleBuilder.h
- include/coordgen/CoordgenMinimizer.h
- include/coordgen/sketcherMinimizer.h
- include/coordgen/sketcherMinimizerAtom.h
- include/coordgen/sketcherMinimizerBendInteraction.h
- include/coordgen/sketcherMinimizerBond.h
- include/coordgen/sketcherMinimizerClashInteraction.h
- include/coordgen/sketcherMinimizerEZConstrainInteraction.h
- include/coordgen/sketcherMinimizerFragment.h
- include/coordgen/sketcherMinimizerInteraction.h
- include/coordgen/sketcherMinimizerMarchingSquares.h
- include/coordgen/sketcherMinimizerMaths.h
- include/coordgen/sketcherMinimizerMolecule.h
- include/coordgen/sketcherMinimizerResidue.h
- include/coordgen/sketcherMinimizerResidueInteraction.h
- include/coordgen/sketcherMinimizerRing.h
- include/coordgen/sketcherMinimizerStretchInteraction.h
- lib/cmake/coordgen-config-.cmake
- lib/cmake/coordgen-config.cmake
- lib/libcoordgen.so
- lib/libcoordgen.so.3
- lib/libcoordgen.so.3.0.2
- share/coordgenlibs/templates.mae
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| schrodinger-coordgenlibs-v3.0.2_GH0.tar.gz | 166817 | f67697434f7fec03bca150a6d84ea0e8409f6ec49d5aab43badc5833098ff4e3 |