Hello Angel,
I almost get what I want with what you suggested, except for some minor issues.
I want to label all residues in a chosen box (x1<x<x2 and y1<y<y2 and z1<z<z2),
and I want there to be only one label for each residue. Some residues in the
box are partial, but they should be labeled, too.
Here's my script:
......
no1 = {visible}.resno.min; #only those atoms inside the box is visible.
no2 = {visible}.resno.max;
for (i=no1; i<no2; i++) {
select {visible and resno=i}[1]; label %r;
}
It turned out that most residues are labeled correctly, but some partial
residues are not (I am not sure whether that's all the partial residues).
Some additional questions:
1.
print {visible}.resno.min;
>> 19
print {visible}.resno.max;
>> 501
print {visible}.length;
>> 8603
print {visible}.resno;
>> 2259973
print {visible}[1];
>> ({0})
I understand the first 3 values: min and max of resno are 19 and 501,
respectively; There are 8603 atoms.
But I don't understand the 4th value 2259973. What I want is to see a list of
residue numbers.
I don't understand the 5th value either. I thought this should return the first
visible atom. I guess what I don't understand here is {} inside ().
2. This question is not related to the above.
load file1.pdb; load APPEND file2.pdb
If after loading two files, I somehow decide to "unload" file2.pdb, how should
I do it?
Thanks for your patience.
Yingjie
> ------------------------------
>
> Message: 2
> Date: Wed, 23 Mar 2011 19:31:25 +0100
> From: " Angel Herr?ez " <[email protected]>
> Subject: Re: [Jmol-users] one label per residue
> To: [email protected]
> Message-ID: <[email protected]>
> Content-Type: text/plain; charset=US-ASCII
>
> Hello Yingjie
>
> You can probably use the atoms array, and either use their geometric
> center (not for a label, but an echo) or the first atom in the array.
> The result will probably not look very nice.
>
> I cannot give you the exact syntax, but check the doc under "atom
> expressions". It will be something like
>
> select {resno=3}[0]; label %r
>
> Good luck!
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