ArbAlign specifications

Information


Unique identifier OMICS_18367
Name ArbAlign
Interface Web user interface
Restrictions to use None
Input data Some Cartesian coordinates of the two isomers.
Programming languages Python
License GNU General Public License version 3.0
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainers


  • person_outline Berhane Temelso <>
  • person_outline George Shields <>

Additional information


https://www.youtube.com/watch?v=i7hBFz27KGg

Information


Unique identifier OMICS_18367
Name ArbAlign
Software type Package/Module
Interface Command line interface
Restrictions to use None
Input data Some Cartesian coordinates of the two isomers.
Operating system Unix/Linux
Programming languages C++, Python
License GNU General Public License version 3.0
Computer skills Advanced
Stability Stable
Requirements
OpenBabel, Numpy
Maintained Yes

Download


Versioning


Add your version

Documentation


Maintainers


  • person_outline Berhane Temelso <>
  • person_outline George Shields <>

Additional information


https://www.youtube.com/watch?v=i7hBFz27KGg

Publication for ArbAlign

ArbAlign institution(s)
Dean’s Office, College of Arts and Sciences, and Department of Chemistry, Bucknell University, Lewisburg, PA, USA; Department of Mathematical Sciences, Susquehanna University, Selinsgrove, PA, USA; Lewisburg Area High School, Lewisburg, PA, USA
ArbAlign funding source(s)
Supported by NSF grant CCF-1421734, by NSF grants CHE-1213521 and CHE-1508556 and by NSF grant CHE- 1229354 as part of the MERCURY consortium.

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