DSR-226-alt2.noarch.rpm


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Description

DSR - DSR - A program for modelling of disordered solvents with SHELXL

Property Value
Distribution ALT Linux Sisyphus
Repository Classic noarch
Package filename DSR-226-alt2.noarch.rpm
Package name DSR
Package version 226
Package release alt2
Package architecture noarch
Package type rpm
Category Sciences/Chemistry
Homepage -
License -
Maintainer -
Download size 6.86 MB
Installed size 6.86 MB
This program consists of a text database with fragments of molecules and
the DSR program. It acts as a preprocessor for SHELXL .res files. The user
inserts a special command in the SHELXL .res file and the DSR program reads
this information to put a molecule or fragment with the desired atoms on the
position of the target atoms specified by the user. Bond restraints are applied
from the database to the molecule.
Development is on GitHub: https://github.com/dkratzert/dsr

Alternatives

Package Version Architecture Repository
DSR - - -

Requires

Name Value
python-base -
python2.7(argparse) -
python2.7(collections) -
python2.7(copy) -
python2.7(datetime) -
python2.7(fnmatch) -
python2.7(hashlib) -
python2.7(math) -
python2.7(mpmath) -
python2.7(networkx) -
python2.7(numpy) -
python2.7(platform) -
python2.7(random) -
python2.7(shlex) -
python2.7(shutil) -
python2.7(tarfile) -
python2.7(tempfile) -
rpmlib(PayloadIsLzma) -
xclip -

Provides

Name Value
DSR = 226-alt2:sisyphus+234517.100.1.1

Download

Type URL
Mirror ftp.altlinux.org
Binary Package DSR-226-alt2.noarch.rpm
Source Package DSR-226-alt2.src.rpm

Install Howto

  1. Add the following line to /etc/apt/sources.list:
    
    rpm [Sisyphus] http://ftp.altlinux.org/pub/distributions/ALTLinux/Sisyphus noarch classic
    rpm [Sisyphus] http://ftp.altlinux.org/pub/distributions/ALTLinux/Sisyphus noarch classic
    
  2. Update the package index:
    # sudo apt-get update
  3. Install DSR rpm package:
    # sudo apt-get install DSR

Files

Path
/usr/bin/dsr
/usr/share/DSR/afix.py
/usr/share/DSR/afix.pyc
/usr/share/DSR/afix.pyo
/usr/share/DSR/atomhandling.py
/usr/share/DSR/atomhandling.pyc
/usr/share/DSR/atomhandling.pyo
/usr/share/DSR/atoms.py
/usr/share/DSR/atoms.pyc
/usr/share/DSR/atoms.pyo
/usr/share/DSR/cf3fit.py
/usr/share/DSR/cf3fit.pyc
/usr/share/DSR/cf3fit.pyo
/usr/share/DSR/constants.py
/usr/share/DSR/constants.pyc
/usr/share/DSR/constants.pyo
/usr/share/DSR/dbfile.py
/usr/share/DSR/dbfile.pyc
/usr/share/DSR/dbfile.pyo
/usr/share/DSR/dsr.py
/usr/share/DSR/dsr.pyc
/usr/share/DSR/dsr.pyo
/usr/share/DSR/dsr_db.txt
/usr/share/DSR/dsrparse.py
/usr/share/DSR/dsrparse.pyc
/usr/share/DSR/dsrparse.pyo
/usr/share/DSR/elements.py
/usr/share/DSR/elements.pyc
/usr/share/DSR/elements.pyo
/usr/share/DSR/export.py
/usr/share/DSR/export.pyc
/usr/share/DSR/export.pyo
/usr/share/DSR/misc.py
/usr/share/DSR/misc.pyc
/usr/share/DSR/misc.pyo
/usr/share/DSR/options.py
/usr/share/DSR/options.pyc
/usr/share/DSR/options.pyo
/usr/share/DSR/pyperclip.py
/usr/share/DSR/pyperclip.pyc
/usr/share/DSR/pyperclip.pyo
/usr/share/DSR/refine.py
/usr/share/DSR/refine.pyc
/usr/share/DSR/refine.pyo
/usr/share/DSR/resfile.py
/usr/share/DSR/resfile.pyc
/usr/share/DSR/resfile.pyo
/usr/share/DSR/resi.py
/usr/share/DSR/resi.pyc
/usr/share/DSR/resi.pyo
/usr/share/DSR/restraints.py
/usr/share/DSR/restraints.pyc
/usr/share/DSR/restraints.pyo
/usr/share/DSR/selfupdate.py
/usr/share/DSR/selfupdate.pyc
/usr/share/DSR/selfupdate.pyo
/usr/share/DSR/terminalsize.py
/usr/share/DSR/terminalsize.pyc
/usr/share/DSR/terminalsize.pyo
/usr/share/DSR/example/p21c.hkl
/usr/share/DSR/example/p21c.res
/usr/share/DSR/example/p21c_final.res
/usr/share/DSR/example/p21c_step0.res
/usr/share/DSR/example/p21c_step1.res
/usr/share/DSR/example/p21c_step2.ins
/usr/share/DSR/example/p21c_step3.res
/usr/share/DSR/example/p21n_cf3.hkl
/usr/share/DSR/example/p21n_cf3.res
/usr/share/DSR/manuals/DSR-manual.pdf
/usr/share/DSR/rmsd/LICENSE.txt
/usr/share/DSR/rmsd/__init__.py
/usr/share/DSR/rmsd/__init__.pyc
/usr/share/DSR/rmsd/__init__.pyo
/usr/share/DSR/rmsd/calculate_rmsd.py
/usr/share/DSR/rmsd/calculate_rmsd.pyc
/usr/share/DSR/rmsd/calculate_rmsd.pyo
/usr/share/doc/DSR-226/README
/usr/share/doc/DSR-226/changelog.txt

Changelog

2019-07-14 - Denis G. Samsonenko <ogion@altlinux.org> 226-alt2
- exclude networkx and mpmath from package
2019-07-14 - Denis G. Samsonenko <ogion@altlinux.org> 226-alt1
- new version
2019-01-20 - Denis G. Samsonenko <ogion@altlinux.org> 219-alt1
- new version
2018-01-04 - Denis G. Samsonenko <ogion@altlinux.org> 205-alt1
- initial build for ALT

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GMT-common-5.4.5-alt1_1.noarch.rpm Common files for GMT
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GeoIP-ASNum-20180324-alt1.noarch.rpm GeoIPASNum database file
GeoIP-Lite-City-201803.27-alt1.noarch.rpm GeoLite City database file
GeoIP-Lite-Country-20180327-alt1.noarch.rpm GeoLite Country database file
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GeoLite2-City-20190813-alt1.noarch.rpm Free IP geolocation GeoLite2-City database
GeoLite2-Country-20190813-alt1.noarch.rpm Free IP geolocation GeoLite2-Country database
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