Hmmm... Could probably be done with MMDB's UDD records. Then notes would
be attached to atoms (maybe residues?). THis has the advantage that if
you move the module to a different assymetric unit you retain the comments.
It might be nice to save them in the PDB file as remarks, but while I
think recent MMDB can read remarks, I'm not sure if it can write them?
Also relevent to future PDB spec.
David Briggs wrote:
Seconded!
That is a fantastic idea - so essentially a label assoicated with a
feature & a set of co-ordinates.
D
2009/3/11 Dirk Kostrewa <[email protected]>:
Dear Paul,
this is a feature request: I would like to attach notes to the structure,
like "water or sodium", "alternative conformation?", "peptide flipped", that
should be displayed in the next session like labels as a "three-dimensional"
notebook of what I've already done or want to do. This can be very useful,
especially to avoid perpetual re-fitting/omitting of the same feature again,
or simply to mark checkpoints. It should be possible to put a note both at
an atomic position or at the pointer position (to mark unexplained density
for instance). The notes could be saved with the session file or as an
external file that could be read into a new session.
Could you please think about adding this feature?
Best regards,
Dirk.
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Dirk Kostrewa
Gene Center, A 5.07
Ludwig-Maximilians-University
Feodor-Lynen-Str. 25
81377 Munich
Germany
Phone: +49-89-2180-76845
Fax: +49-89-2180-76999
E-mail: [email protected]
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