Subject: Re: [nmr_sparky] Re: About the extension "ax--Atom name translation"
From: Eiso AB
Date: Dec 8, 2005

Previous: 47 Next: 49

ethernet3399 wrote:

Thanks, Goddard!
Thanks, Eiso!

I have install the linux platform 3.110 version. The Python
Shell(report error) will not showup.

I have a misunderstanding before. This atome names translation
extension is used for accommodate different name systems, such as the
two hydrogen connect with CB. Supposed I assign them with HB1, HB2, I
then load a pdb file whose assignments are HB2, HB3. Now by the help
of this extension, I neednt change the hudrogens assignment to match
the pdb file assignment. Is it correct?

yes, but be carefull if you mix two naming systems.
sparky will decide on the basis of the first characteristic nam that it finds.
so if you have HA1 as well as HA3 in your atom names (which is incorrect but
could happen) the naming convention that is chosen depends on which atomname is
found first.

E

That means this extension will not change the assignment I make. Just
make a bridge with different name systems.

While I think an extension which will change the assignment is cool.
This extensions function is more powerful than Renaming groups and
atoms(rr).

Just the personal idea:)

Tieying Zhang
at SIBS

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_________________/ Eiso AB ___________________________

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o Dept. of NMR Spectroscopy
Bijvoet Center for Biomol. Research
Utrecht University
o Padualaan 8, 3584 CH Utrecht
. . The Netherlands
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