https://bugzilla.redhat.com/show_bug.cgi?id=1116560
Bug ID: 1116560
Summary: Review Request: shelxle - Qt graphical user interface
for SHELXL
Product: Fedora
Version: rawhide
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Spec URL: http://us-la.cicku.me/shelxle.spec
SRPM URL: http://us-la.cicku.me/shelxle-1.0.663-1.fc21.src.rpm
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 Qt4 and FFTW libraries.
Fedora Account System Username: cicku
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