Janocchio 1.0.1
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Janocchio 1.0.1 Ranking & Summary
File size:
11 MB
Platform:
Windows 9X/ME/NT/2K/2003/XP/Vista
License:
Freeware
Price:
Downloads:
931
Date added:
2007-05-23
Publisher:
David Evans
Janocchio 1.0.1 description
Janocchio is an applet and Java based application designed for calculating NMR measurements, such as NOEs and coupling constants, from three dimensional molecular structures.
Janocchio is derived from and depends upon the open-source molecular visualisation program Jmol. Jmol is an applet and Java based application designed to display various 3D chemical information.
Main features:
- Full spin-matrix nOe calculation.
- Altona equation to calculate 3JHCCH values.
- Importing xyz and SD files, single and multi-conformers.
- Comparison of calculated and experimental nOes and J-values for each conformer.
- Addition of arbritary atom labels for consistency with original spectral assignment.
- Export of files for NAMFIS fitting of conformer population to the experimental data.
Janocchio is derived from and depends upon the open-source molecular visualisation program Jmol. Jmol is an applet and Java based application designed to display various 3D chemical information.
Main features:
- Full spin-matrix nOe calculation.
- Altona equation to calculate 3JHCCH values.
- Importing xyz and SD files, single and multi-conformers.
- Comparison of calculated and experimental nOes and J-values for each conformer.
- Addition of arbritary atom labels for consistency with original spectral assignment.
- Export of files for NAMFIS fitting of conformer population to the experimental data.
Janocchio 1.0.1 Screenshot
Janocchio 1.0.1 Keywords
NOEs
NMR
Janocchio 1.0.1
coupling constants
Janocchio
application
applet
measurements
three
constants
Janocchio 1.0.1
Misc Programming Tools
Software Development
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Janocchio 1.0.1 Copyright
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