Hi Angel, thanks for the reply
Two things: I updated to version 12.3.1.
'cd' now displays the directory from where Jmol is started (when
starting jmol.jar, dont know yet about the applet).
After entering "set allowRotateSelected True" and trying to move atoms
with <ALT>+<Left Mouse>, it does not work. I just checked it in 11.6.14,
it works there.
From the manual page you linked:
write COORDS SPT|XYZ|XYZRN|XYZVIB|MOL|PDB "fileName"
I do the following:
load pqr::file.pqr // works
select 1.1 // works
write "new.pqr" // does not work
write COORDS "new.pdb" // works
write "new.pdb" // works
write COORDS "new.pqr" // does not work
However, when running the Jmol 11.6.14 applet and entering 'write
"new.pdb" ' at the console, i get "File creation failed." What is the
reason for this error? Also, It would be extremely helpful if you
briefly could comment on my last question about transfering the
coordinates directly to the CGI, and having the writing being done by a
CGI script (rather than Jmol).
Thanks for the support in any case.
Martin
Am 18.10.11 14:16, schrieb Angel Herráez:
> Hello, Martin
>
> The syntax has never been write("whatever"). It's
>
> write<optional format specification> <filename>
>
> if you omit the format spec (1st parameter), Jmol will guess from the
> filename extension. That's why you are getting JPGs, I think; it
> didn't understand pqr.
> I think that PQR format has just been added by Bob, it wasn't there
> before.
>
> Please check the doc at
> http://chemapps.stolaf.edu/jmol/docs/#writemodel
>
> So,
>
> write pqr myfile.txt;
> write myfile.pqr;
>
> should work the same
>
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