描述
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
螢幕擷取畫面
新功能
- 版本: 2.2.0
- 發佈日期:
- - 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.
價錢
- 今天: $17.99
- 最小值: $17.99
- 最大值: $17.99
追蹤票價
開發人員
- UNamur
- 平台: macOS 應用程式 (4)
- 清單: 0 + 0
- 點數: 1 + 0 ¡
- 排名: 0
- 評測: 0
- 折扣: 0
- 影片: 0
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其他資訊
- 版本: 2.2.0
- ID: be.UNamur.DrawProfile
- 類別 :
macOS 應用程式›教育 - OS:
macOS,macOS 10.15 以上版本 - 大小:
13 Mb - 支援的語言 :
English - 內容分級:
4+ - Mac App Store 評分:
0 - 發佈日期:
- 發行日期:
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