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CCP14

Methods, Problems and Solutions

Available Software for Bond Length and Bond Angle Calculation

The CCP14 Homepage is at http://www.ccp14.ac.uk

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Known Freely Available Software (or software still being chased):

Additions/Corrections/Changes Welcome. Most structure drawing programs, single crystal programs, single crystal suites and some Rietveld programs include Bond Length and Bond Angle Calculation facilities.

Refer:


  • Drawcrys/ORFEE DOS executable and Fortran Code
    • Contact: David Close (R29CLOSE@ETSU.EAST-TENN-St.EDU)
    • "The purpose here is to provide a simple method for expanding crystallographic information to study crystal packing. One inputs the standard crystallographic coordinate information and then uses the program DRAWCRYS to generate a unit cell and then to add more unit cells onto the original unit cell."
    • Home site at http://www.ccl.net/cca/software/SOURCES/FORTRAN/drawcrys/



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If you have any queries or comments, please feel free to contact the CCP14