1) I am working with two ligands, cyclopropanemethanol
and cyclobutanemethanol. The 3 letter code for them
CPM and CBM (i thought of using) were assigned to
other ligands. Is there any standard procedurre to
name them. I would like them to use in Refmac and
coot.
while you refine your structure you can call them whatever you like (XXX, ABC,
WTF, USA, NSW, ...) as long as it's not already used in the refinement
program's dictionary. when you deposit, you have to contact the deposition
centre and they will assign a three-letter code
2) How do I convert mtz file to dsn6 (O) format. The
google search took me to
http://www.imsb.au.dk/~mok/o/o-info/1994/Jan/msg00056.html
but there is no answer.
an mtz file contains reflections; dsn6 is a format for electron-density maps.
so you will need to calculate a map first and then, if you really want to, you
can convert it to dsn6 format (e.g. with mapman or, if you have an ASCII CNS
map for instance, using the mapman server,
http://xray.bmc.uu.se/cgi-bin/gerard/mapman_server.pl)
--dvd
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Gerard J. Kleywegt
[Research Fellow of the Royal Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:[EMAIL PROTECTED]
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The opinions in this message are fictional. Any similarity
to actual opinions, living or dead, is purely coincidental.
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