價格：免費
更新日期：2012-06-19
檔案大小：345k
目前版本：1.5.0
版本需求：Android 2.2 以上版本
官方網站：http://www.uni-goettingen.de/en/123989.html
Email：compchem.goettingen@googlemail.com
### NEW ###
Initial ribbons support (no sheets yet)
Check the server news for HOWTOs and explanations.
Contribute your molecules to the library (share button) and enter our contributor ranking!
Please report any problems via mail! :-)
### NEXT ###
Complete ribbons support
###
The Atomdroid app is a computational chemistry tool for the Android platform. It can be used as a molecular viewer/builder and contains local optimization and Monte Carlo simulation features. Install now and experience mobile computational chemistry!
List of features:
* molecular viewing (compatible with xyz and pdb files)
* trajectory analysis and viewing
* molecular building (export to xyz)
* PDB downloader (requires the Internet permission, downloads compressed pdb to save on your data plan)
* Atomdroid molecular libraries (requires the Internet permission)
* local optimization (L-BFGS and Powell algorithms)
* Monte Carlo simulation and analysis
* Global optimization using a Monte Carlo with minimizations approach
* Universal Force Field (UFF) implementation (currently without electrostatics)
* communication with other Atomdroid users via bluetooth and share your molecules (requires bluetooth permission, we are VERY cautious with using it)
Future versions will contain:
* more force field implementations (including analytical gradients)
* molecular dynamics engine
* and more...
The application is currently in beta state. Please report any bugs to compchem.goettingen@gmail.com, we will be pleased to solve them quickly.
Support for Atomdroid molecular libraries: If you want to create your own library (e.g. for courses) let us know via mail and we provide you with the necessary tools and information free of charge!
