BSD Ports

science/shelxle 1.0.1861 FreeBSD

Graphical user interface for small-molecule structure refinement

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
Last update
Commit
a61ecbbbf1
License
LGPL21
Categories
science
Package size
4027.9 KiB, 7273.2 KiB installed

Description

ShelXle is a graphical user interface for SHELXL, currently the most widely used program for small-molecule structure refinement. It combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density (Fo) and difference density (Fo-Fc) maps. Special features of ShelXle include intuitive atom (re-)naming, a strongly coupled editor, structure visualization in various mono and stereo modes, and a novel way of displaying disorder extending over special positions. ShelXle is completely compatible with all features of SHELXL and is written entirely in C++ using the Qt and FFTW libraries. It is available at no cost for Windows, Linux and Mac-OS X and as source code.

In the other systems

SystemPortVersion
FreeBSDscience/shelxle1.0.1861
DragonFlyscience/shelxle1.0.1703
HardenedBSDscience/shelxle1.0.1818
GhostBSDscience/shelxle1.0.1818

Install

Binary package:

pkg install shelxle

From the ports tree:

cd /usr/ports/science/shelxle/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	shelxle>0:science/shelxle

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest1.0.18611.0.1861-1.0.17031.0.1861
FreeBSD:14:quarterly1.0.18181.0.1818n/a1.0.17031.0.1818
FreeBSD:15:latest1.0.18611.0.1861n/a1.0.17031.0.1703
FreeBSD:15:quarterly1.0.18181.0.1818n/an/an/a
FreeBSD:16:latest1.0.18181.0.1861n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

The Makefile names none itself; they come from USES and USE_*.

The full lists below include those, and their dependencies in turn.

Build dependencies 124

The first 100 are listed.

Run dependencies 118

The first 100 are listed.

No port depends on this one.

Configuration

No options to configure.

USES
compiler:c++11-lang desktop-file-utils dos2unix gl qmake qt:6 tar:bz2
Service scripts
none

Files

distinfo 1
FileSizeSHA256
shelxle-1.0.1861.tar.bz24.909482e+061c7962c219cecbb1cf20155411bb6132d2bcbc244329a8fd81dbdb9378a25d95
Master sites 1
  • SF/shelxle/code/

Commit history 2

DateCommitCreditsLog message
a61ecbbbf1 Yuri Victorovich science/shelxle: update 1.0.1818 → 1.0.1861
612c6cf555 Yuri Victorovich science/shelxle: update 1.0.1703 → 1.0.1818