[Molvis-list] pdb-l: working with a file with two models superimposed
sternberg at anl.gov
Mon May 12 18:45:00 EDT 2008
On May 12, 2008, at 12:49, Kevin Karplus wrote:
> In rasmol,
> help primitives
> help expression
> will explain (somewhat awkwardly) how to select models in rasmol.
> 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
Ahh - Rasmol has this already, though the help for it in a somewhat
atomno == mmm
atomno >= mmm and atomno < nnn
As I hardly ever handle biomolecules, I am not sure if atom numbers
in them are global or per chain.
Caution: In .xyz files, atom numbers are assigned internally,
starting from 0 (fine with me), in for .alchemy files the numbers are
imported from the file; when I create alchemy files (mainly to force
bonds), I start numbering from 0 as well.
Now, here's what really would rock: arithmetic expressions based on
x + y > 0
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