BSD Portsscience/tinker 26.1.2 FreeBSD
General purpose molecular modelling package
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- TINKER
- Categories
- science
Description
Tinker is a comprehensive and versatile molecular modeling software package designed for molecular mechanics and dynamics simulations, with specialized capabilities for biopolymers. It provides a complete set of tools for energy minimizations, geometry calculations, simulated annealing, and molecular dynamics.
Tinker supports a wide array of force fields, including Amber, CHARMM, OPLS, MMFF94, and advanced polarizable models like AMOEBA. It features atomic multipole-based electrostatics with explicit dipole polarizability and various continuum solvation treatments. The software offers efficient truncated Newton optimization, normal mode vibrational analysis, and free energy calculations. It also includes algorithms for conformational searches, global optimization, and transition state location. Written in Fortran 95, Tinker is a modular and extensible system, widely used in computational chemistry and biophysics.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/tinker | 26.1.2 |
| DragonFly | science/tinker | 8.11.3_1 |
Install
Binary package:
pkg install tinkerFrom the ports tree:
cd /usr/ports/science/tinker/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= tinker>0:science/tinkerPackages
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 | - | - | - | - | - |
| FreeBSD:14:quarterly | - | - | n/a | - | - |
| FreeBSD:15:latest | - | - | n/a | - | - |
| FreeBSD:15:quarterly | - | - | n/a | n/a | n/a |
| FreeBSD:16:latest | - | - | 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.
Library 1
libfftw3.so: math/fftw3
The full lists below include those, and their dependencies in turn.
Build dependencies 11
Run dependencies 9
No port depends on this one.
Configuration
Options name: science_tinker
| Option | Default | Description |
|---|---|---|
| DOCS | off | Build and/or install documentation |
| EXAMPLES | off | Build and/or install examples |
| NATIVE | off | Use native optimization (-march=native) |
| OPTIMIZED_FFLAGS | off | Fortran compilation optimizations |
- USES
- fortran gmake
- Service scripts
- none
Files
pkg-plist 240
- bin/alchemy
- bin/analyze
- bin/anneal
- bin/arcedit
- bin/bar
- bin/correlate
- bin/critical
- bin/crystal
- bin/diffuse
- bin/distgeom
- bin/document
- bin/dynamic
- bin/freefix
- bin/gda
- bin/intedit
- bin/intxyz
- bin/mdavg
- bin/minimize
- bin/minirot
- bin/minrigid
- bin/mol2xyz
- bin/molxyz
- bin/monte
- bin/newton
- bin/newtrot
- bin/nucleic
- bin/optimize
- bin/optirot
- bin/optrigid
- bin/path
- bin/pdbxyz
- bin/polarize
- bin/poledit
- bin/potential
- bin/prmedit
- bin/protein
- bin/pss
- bin/pssrigid
- bin/pssrot
- bin/radial
- bin/saddle
- bin/scan
- bin/sniffer
- bin/spacefill
- bin/spectrum
- bin/superpose
- bin/testgrad
- bin/testhess
- bin/testpair
- bin/testpol
- bin/testrot
- bin/testsurf
- bin/testvir
- bin/timer
- bin/timerot
- bin/torsfit
- bin/valence
- bin/vibbig
- bin/vibrate
- bin/vibrot
- bin/xtalfit
- bin/xtalmin
- bin/xyzedit
- bin/xyzint
- bin/xyzmol2
- bin/xyzpdb
- share/tinker/params/0README
- share/tinker/params/amber14sb.prm
- share/tinker/params/amber19sb.prm
- share/tinker/params/amber94.prm
- share/tinker/params/amber96.prm
- share/tinker/params/amber98.prm
- share/tinker/params/amber99.prm
- share/tinker/params/amber99sb.prm
- share/tinker/params/amoeba04.prm
- share/tinker/params/amoeba09.prm
- share/tinker/params/amoebabio-hfc23.prm
- share/tinker/params/amoebabio09.prm
- share/tinker/params/amoebabio18.prm
- share/tinker/params/amoebail22.prm
- share/tinker/params/amoebanuc17.prm
- share/tinker/params/amoebaplus.prm
- share/tinker/params/amoebapro04.prm
- share/tinker/params/amoebapro13.prm
- share/tinker/params/basic.prm
- share/tinker/params/charmm19.prm
- share/tinker/params/charmm22.prm
- share/tinker/params/charmm27.prm
- share/tinker/params/charmm36m.prm
- share/tinker/params/dang.prm
- share/tinker/params/hippo19.prm
- share/tinker/params/hoch.prm
- share/tinker/params/iwater.prm
- share/tinker/params/mm2.prm
- share/tinker/params/mm3.prm
- share/tinker/params/mm3pro.prm
- share/tinker/params/mmff94.prm
- share/tinker/params/mmff94s.prm
- share/tinker/params/oplsaa08.prm
- share/tinker/params/oplsaal.prm
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| TinkerTools-tinker-v26.1.2_GH0.tar.gz | 3.490788e+07 | 64675edba53cb99ba5e25a2ba086233afc526034d850dd47561672a2a5c4ae82 |
Commit history 0
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