BSD Ports

science/tinker 8.11.3_1 DragonFly

General purpose molecular modelling package

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
TINKER
Categories
science
Package size
48678.1 KiB, 303470.3 KiB installed

Description

Tinker is a set of small programs for doing general purpose molecular modeling calculations. Tools are included for energy minimizations, geometry calculations, simulated annealing, molecular dynamics, and molecular analysis calculations. Tools for converting coordinate sets are also provided. Tinker employs several force fields and minimization techniques.

This port sets the maxatm value to 2500 atoms. This should be sufficient for most molecular systems. Should you need to work with larger systems you can set the maxatm parameter in the sizes.i file located in the tinker/source directory and recompile. Note that if it is set too large that tinker programs will abort and core dump.

For more information about Tinker see:

In the other systems

SystemPortVersion
DragonFlyscience/tinker8.11.3_1
FreeBSDscience/tinker26.1.2
HardenedBSDscience/tinker26.1.2
GhostBSDscience/tinker26.1.2

Install

Binary package:

pkg install tinker

From DPorts:

cd /usr/dports/science/tinker && make install clean

Dependencies

Run dependencies 2

No port depends on this one.

Configuration

No options to configure.

Service scripts
none

Message after installing

The author requests that you return a license form
   to him if you find Tinker to be useful.

   See /usr/local/share/licenses for license forms.

   The name of TINKER's 'analyze' program has been changed
   to 'analyze_t' during installation to allow for use on
   systems where the very common hunspell package is
   installed as well.