| Udvikler: | UNamur (4) | ||
| Pris: | $17.99 | ||
| Rangeringer: | 0 | ||
| Anmeldelser: | 0 Skriv en anmeldelse | ||
| Lister: | 0 + 0 | ||
| Point: | 0 + 0 ¡ | ||
| Mac App Store | |||
Beskrivelse
CITATION
If you use DrawProfile for your scientific work, please site DrawProfile program in your papers:
DrawProfile, Vincent LIEGEOIS, UNamur, www.unamur.be/drawprofile
All papers that cite DrawProfile will be listed on the website
FUNCTIONALITIES
With DrawProfile, you can:
A) Plot the energy during an optimization of geometry.
B) Plot 1D and 2D energy scan.
C) Plot energy profile along a reaction coordinate.
D) Plot relative energy with respect to a reference value.
E) Select the unit of energy between Hartree, eV, cal/mol, kcal/mol, J/mol,
kJ/mol values.
F) Plot the change of a distance, angle, or dihedral angle along the x axis.
ATTENTION: DrawProfile mainly open Gaussian (www.gaussian.com) log files and Gamess US (http://www.msg.ameslab.gov/gamess) log files.
CONTACT AND HELP
If you have any issue, please send an e-mail at drawmol@unamur.be
Skærmbilleder
Nyheder
- Version: 2.2.0
- Opdateret:
- - Huge internal changes in the way molecular property parameters (vector scale, color, active vibrational normal mode, ...) are stored and their changes monitored to update the UI.
ATTENTION: if you encounter any bug, please send a email at drawmol@unamur.be
- Some new UI using Swift UI have been introduced. Require macOS 14 and later.
Pris
- I dag: $17.99
- Minimum: $17.99
- Maksimalt: $17.99
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Yderligere oplysninger
- Version: 2.2.0
- ID: be.UNamur.DrawProfile
- Kategori:
macOS Apps›Læring - Operativsystem:
macOS,macOS 10.15 eller nyere - Størrelse:
13 Mb - Understøttet sprog:
English - Indholdsklassificering:
4+ - Mac App Store Bedømmelse:
0 - Opdateret:
- Udgivelsesdato:
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