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ANNOUNCEMENTS
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!! WE ARE HIRING !! The post-doc position is open in Kasia's EuXFEL grant entitled "Support for Polish EuXFEL users – Supervision, Part II (2022–26)". More information in both Polish and English can be obtained here: [LINK - PL] [LINK - EN]
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Software
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CLUSTERGEN – a program for generating clusters of molecules
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Version:
01.03.2018:01 (Windows)
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Files for download:
clustergen-01.03.2018.01.zip
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Information:
Downloaded files is an archive containing Windows executables (32-bit – both with double precision and single precision versions), GUI and colour table. After unpacking the archive anywhere you want, you need to run the GUI file (JAR file, needs Java installed on a computer) and link the Fortran executable (EXE file) in File > Preferences. The Fortran program manual is incorporated into GUI (Help > Documentation). The GUI itself is (or should be) self explanatory. To import CIF file you go to File > Import. In case of problems with speed only use the "sp" (single precision) version. In case of problems first use the "check" version and then contact us if needed.
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Citation:
CLUSTERGEN: a program for molecular cluster generation from crystallographic data
R. Kamiński, K. N. Jarzembska, S. Domagała
Journal of Applied Crystallography, 2013, 46, 540–534 (reprint)
DOI: 10.1107/S0021889813002173
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LASER – a program for response-ratio refinement of time-resolved diffraction data
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Citation:
LASER – a program for response-ratio refinement of time-resolved diffraction data
I. Vorontsov, S. Pillet, R. Kamiński, M. S. Schmøkel, P. Coppens
Journal of Applied Crystallography, 2010, 43, 1129–1130 (reprint)
DOI: 10.1107/S0021889810029900
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LSDB – a program for automatic assignment of local coordinate systems and UBDB transfer
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Version:
10.02.2014:01 (Windows)
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Files for download:
lsdb-10Feb2014.zip
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Information:
Archive contains Windows executable (32-bit) and UBDB databank. To use the program: (1) Run LSDB in command promt with -h option to create example lsdb.inp input file; (2) modifiy this file (keywords are self-explanatory); (3) run LSDB without any options. K. Jarzembska's PhD thesis is present with the program where the more extensive explanations are provided (pages 72–76).
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Citation:
New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011 – towards nucleic acid modelling
K. N. Jarzembska, P. M. Dominiak
Acta Crystallographica Section A, 2012, 68, 139–147 (reprint)
DOI: 10.1107/S0108767311042176
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CONTACT |
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Department of Chemistry, |
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University of Warsaw |
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Żwirki i Wigury 101, 02-089, |
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Warsaw, Poland |
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(109A Office, Radiochem. Bldg) |
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katarzyna.jarzembska@uw.edu.pl (K.N.J.) |
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rkaminski85@uw.edu.pl (R.K.) |
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+48 22 55 26 757 (K.N.J) |
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