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پروژه نانو و ارتباط آن با عمران - مدل های نانو کربن
پنجشنبه 23 آبان 1387

مدل های نانو کربن

   نوشته شده توسط: بنیامین    


Generation of Nano-Geometries
  

© JCrystalSoft, 2005-2008

Version 1.4.2 (10/16/2008)

Nanotube Modeler is a program for generating xyz-coordinates for Nanotubes and Nanocones. The Fullerene library by M.Yoshida may be accessed as well. Generated geometries may be viewed using the integrated viewer or by calling a viewer program of your choice. This program is based on the JNanotubeApplet but has improved and extended features. 

 

Main Features

  • Interactive graphics (rotate structure by mouse drag)

  • Creation of Nanotubes, Nanocones, Buckyball, Graphene Sheets

  • Creation of capped (9,0) and (5,5) tubes

  • Application of tube distortions

  • Creation of single- or multi-walled nanotubes (SWNT, MWNT)

  • Export of XYZ, JPG, BMP, PDF, MOL, XMOL, PDB, CIF, VRML, POV files

  • Import of XY-Sheet coordinate files (can be rolled into tube)

  • Display of Drexler-Merkle molecular machines from IMM

  • XY-Sheet generation tool (image search / manual assembly)

  • Nanotube Hetero-Junctions (using CoNTub plug-in)

  • Import of XMOL coordinate files (distortions can be applied to nanotube data)

  • More capped tubes (6,6), (10,0) and (10,10)

  • Create tubes by number of translational units

  • Custom MWNT input / Radius calculator / MWNT sequence finder

  • Expanded number of atoms for longer tubes

  • Rainbow color mode 

  • New CIF output option for ICSD style atom data block

  • User-assigned bond order for MOL file export

  • Modified for European customers (decimal point/comma issue)

  • New: Select one or both caps for capped tubes

  • New: Extra long tubes (>100,000 A)

  • New: Export bond connection files

  • New: Export MLM files (Agile Molecule)



 

Download Free Version

The downloadable version is fully functional except for the above mentioned export functions and the Copy Functions. Below there is a link to a downloadable self-extracting installation. Select "Open" to run the setup program immediately or select "save" to save the file to your computer.  

 

Register to Upgrade to Full Version

The export functions for can be enabled by obtaining a registration password, which will be emailed to you. Please go to the Order Page for a registration. Please test the program on your PC before ordering, in order to make sure that it runs on your operating system.


Download Fullerene Library

The Fullerene Library by M. Yoshida is freely downloadable from his web page at  http://www.cochem2.tutkie.tut.ac.jp/Fuller/Fuller.html . However those files are in UNIX format and not directly readable on PC. A reformatted archive was created by Steffen Weber in 1999, 
(see http://jcrystal.com/steffenweber/gallery/Fullerenes/Fullerenes.html). 

Please note that although M. Yoshida did not post any copyright note on his web page he might choose to do so in future. JCrystalSoft disclaims any responsibility arising from downloading and using M. Yoshida's data files.    

Click here to download the Fullerene Library, save the file to the ..\NanoTube\DATA\Fullerene\  folder and execute it. Then the data files (*.cc1, *.xyz) may be loaded into the Nanotube Modeler.

 

References


abolfazl.nikanjam
جمعه 22 مهر 1390 12:23 ب.ظ
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