Hello,
I would love to learn how "differently" one can implement the difference
between two numbers? Or are you referring to 'versions'?
Cheers, Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Wed, 14 Mar 2007, Dirk Kostrewa wrote:
> Dear John,
>
> I don't know how different the RMSD values are, and whether the calculated
> estimates are with or without hydrogen atoms (this can make a difference). In
> principle, both programs use the Engh & Huber stereochemistry library, but
> I've observed in the past that different programs used slightly different
> "implementations" of this library, resulting in different RMSD values,
> although they should all be the same ...
>
> Good luck,
>
> Dirk.
>
> john kryst wrote:
>> Hi ccp4bb !!!
>>
>> Does the rmsd estimation (for eg. rmsd_bonds ) depends on the program we
>> use
>> ??
>>
>> Example : shifting from Refmac to CNS. There appears to be an increase in
>> rmsd of bonds even without refining the structure in CNS. Is the estimation
>> methods are different or am i doing something wrong !!
>>
>> Thanks for your valuable inputs.
>>
>> regards
>> john
>>
>
>
> --
>
> ****************************************
> Dirk Kostrewa
> Paul Scherrer Institut
> Biomolecular Research, OFLC/110
> CH-5232 Villigen PSI, Switzerland
> Phone: +41-56-310-4722
> Fax: +41-56-310-5288
> E-mail: [log in to unmask]
> http://sb.web.psi.ch
> ****************************************
>
|