Port details on branch 2022Q3 |
- shelxle Graphical user interface for small-molecule structure refinement
- 1.0.1623 science =0 1.0.1556Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2021-01-14 19:14:47
- Last Update: 2024-03-15 15:46:27
- Commit Hash: e5600bc
- License: LGPL21
- WWW:
- https://www.shelxle.org/shelx/eingabe.php
- 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.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- shelxle>0:science/shelxle
- To install the port:
- cd /usr/ports/science/shelxle/ && make install clean
- To add the package, run one of these commands:
- pkg install science/shelxle
- pkg install shelxle
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: shelxle
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1710484304
SHA256 (shelxle-1.0.1623.tar.bz2) = 1ef0eaa7a3be53ae921a6bd1c498e5a65cd0f6fb26c9c4e85bc8080d49153cfc
SIZE (shelxle-1.0.1623.tar.bz2) = 3949787
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- xorgproto>=0 : x11/xorgproto
- qt5-buildtools>=5.15 : devel/qt5-buildtools
- qt5-qmake>=5.15 : devel/qt5-qmake
- Library dependencies:
-
- libGL.so : graphics/libglvnd
- libQt5Core.so : devel/qt5-core
- libQt5Gui.so : x11-toolkits/qt5-gui
- libQt5Network.so : net/qt5-network
- libQt5OpenGL.so : graphics/qt5-opengl
- libQt5Widgets.so : x11-toolkits/qt5-widgets
- There are no ports dependent upon this port
Configuration Options:
- No options to configure
- Options name:
- science_shelxle
- USES:
- compiler:c++11-lang dos2unix gl qmake qt:5 tar:bz2
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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