Hi all,
here is an ad-hoc definition of a atom-vector format
function load_vector( url ){
if( !url ) return false;
var x = load( url );
var line1_end = x.find("\n");
var line1 = x[1][line1_end-1];
script INLINE @line1;
if(!colr) colr = "red";
if(!diameter) diameter = 0.15;
if(!id) id = "vec";
var d = x[line1_end][0];
var i = 0;
for(l in d.split('\n')){
var row = l.split(" ");
var atm = "({" + row[1] + "})";
var vec = "{" + row[2] + " " + row[3] + " " + row[4] + "}";
draw ID @{id+i} vector @atm @vec color @colr diameter @diameter;
++i;
}
return true;
}
# sample file:
# the first line contains jmol script that sets variables used in the
load_vector function
# the remaining lines have four fields: atomindex, x, y, z
colr = color("roygb", 0, 5, 0); diameter = 0.15; id = "some_vec";
428 -0.08 -0.11 -0.05
438 0.10 -0.10 -0.11
457 0.12 -0.27 -0.13
467 -0.04 -0.32 -0.13
489 -0.08 -0.25 -0.08
598 0.31 0.06 0.03
Best
Alexander
----- Ursprüngliche Mail -----
> Von: "Angel Herráez" <[email protected]>
> An: [email protected]
> Gesendet: Montag, 6. Mai 2013 10:06:50
> Betreff: Re: [Jmol-users] 转发: The vector file format
>
> Hello, Ying-Li Niu
>
> There are a couple of commands in Jmol that can draw arrows. it is
> not a file format, though. You provide the data in a command.
>
> See "draw arrow" and "vector" in
> http://chemapps.stolaf.edu/jmol/docs/
>
> If you have those data in a file, maybe you can make use of the
> "data" command to load them somewhow.
>
>
>
>
>
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