[Molvis-list] pdb-l: working with a file with two models superimposed
Kevin Karplus
karplus at soe.ucsc.edu
Mon May 12 13:49:48 EDT 2008
In rasmol,
help primitives
help expression
will explain (somewhat awkwardly) how to select models in rasmol.
I've never gotten things to work *exactly* as documented, but
commands like
restrict */1
select */1 and backbone
work fine.
What I've never gotten to work is
select 10-13.CB
or select 10.CB
which the documentation implies should work. I always have to do
select 10-13 and *.CB
I think this is primarily a documentation problem, though a little
more flexibility in specificying atoms would be welcome.
For example, I wouldn't mind seeing a primitive that allowed
specifying an atom by number, as they are reported when clicked on.
That is, it would be nice to have
select atom 114 and */1
to get
Atom: CB 114 Group: TYR 16 Chain: A Model: 1
This would be particularly useful for selecting water molecules and
hetero atoms, which can be a bit tricky to select otherwise.
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