| Port details |
- molden Program for molecular and electronic structure visualization
- 6.1 science
 =0      6.1Version of this port present on the latest quarterly branch.  RESTRICTED: No commercial use
- Maintainer: yuri@FreeBSD.org
- Port Added: 2019-06-28 03:51:47
- Last Update: 2019-06-28 06:57:09
- SVN Revision: 505268
- License: Molden
- WWW:
- http://cheminf.cmbi.ru.nl/molden/
- Description:
- Molden is a package for displaying Molecular Density from the Ab Initio packages
GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac,
it also supports a number of other programs via the Molden Format. Molden reads
all the required information from the GAMESS / GAUSSIAN outputfile. Molden is
capable of displaying Molecular Orbitals, the electron density and the Molecular
minus Atomic density. Either the spherically averaged atomic density or the
oriented ground state atomic density can be subtracted for a number of standard
basis sets. Molden supports contour plots, 3-d grid plots with hidden lines and
a combination of both. It can write a variety of graphics instructions;
postscript, XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and
Figure. Both Xwindows and OpenGL versions of Molden are also capable of
importing and displaying of chemx, PDB, and a variety of mopac/ampac files and
lots of other formats. Molden also can animate reaction paths and molecular
vibrations. It can calculate and display the true or Multipole Derived
Electrostatic Potential and atomic charges can be fitted to the Electrostatic
Potential calculated on a Connolly surface. Molden also features an stand alone
forcefield program ambfor, which can optimise geometries with the combined Amber
(protein) and GAFF (small molecules) force fields. Atom typing can be done
automatically and interactively from within Molden, as well as firing
optimisation jobs. Molden has a powerful Z-matrix editor which give full control
over the geometry and allows you to build molecules from scratch, including
polypeptides.
WWW: http://cheminf.cmbi.ru.nl/molden/
 cgit ¦ GitHub ¦ GitHub ¦ GitLab ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- No installation instructions:
- This port has been deleted.
- PKGNAME: molden
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1561690466
SHA256 (molden6.1.tar.gz) = ba228b863e8f405a9f6c9f6c502e50462a570daeff74661fb317338fcc6d7fb0
SIZE (molden6.1.tar.gz) = 6263424
No package information for this port in our database- Sometimes this happens. Not all ports have packages. Perhaps there is a build error. Check the fallout link:
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- makedepend : devel/makedepend
- gfortran8 : lang/gcc8
- gmake : devel/gmake
- as : devel/binutils
- xorgproto>=0 : x11/xorgproto
- xorgproto>=0 : x11/xorgproto
- x11.pc : x11/libX11
- xmu.pc : x11-toolkits/libXmu
- Runtime dependencies:
-
- gfortran8 : lang/gcc8
- x11.pc : x11/libX11
- xmu.pc : x11-toolkits/libXmu
- Library dependencies:
-
- libGL.so : graphics/mesa-libs
- libGLU.so : graphics/libGLU
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for molden-6.1:
DOCS=on: Build and/or install documentation
===> Use 'make config' to modify these settings
- Options name:
- N/A
- USES:
- fortran gl gmake localbase
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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