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Calculate bond lenths from cif
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G Wolmershäuser
May 14, 2008, 11:16:23 AM5/14/08
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Hello,
I'm searching for a program for calculating bond lengths and angles with
esd's from e.g. cif files (or other files that include esd's of the
fractional coordinates). The important point being the esd's.
Thanks
Gotthelf
I'm searching for a program for calculating bond lengths and angles with
esd's from e.g. cif files (or other files that include esd's of the
fractional coordinates). The important point being the esd's.
Thanks
Gotthelf
Kees Goubitz
May 15, 2008, 3:00:59 AM5/15/08
to
Hello,
You could try PLATON from Ton Spek.
regards,
Kees
G Wolmershäuser
May 15, 2008, 9:41:15 AM5/15/08
to
Kees Goubitz schrieb:
>
> You could try PLATON from Ton Spek.
>
> You could try PLATON from Ton Spek.
I haven't used PLATON with cif as input file yet. Now I know that it
automatically calculates the esd's when a cif file is given. Thanks a lot.
Cheers
Gotthelf
P.J. Carroll
May 28, 2008, 8:42:39 PM5/28/08
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Try CrystMol (www.crystmol.com)!
Pat Carroll
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