From: Bob Hanson <hansonr@st...> - 2007-06-28 13:11:35
Liu hai, I've forwarded this reply to Jmol-users, because I think others
would be interested in it.
Liu hai has a mol2 file with comments at the beginning. This tricked
Jmol into thinking it was a MOL file rather than a MOL2 file. If you are
ever in this situation where you know a file has a certain format but
Jmol doesn't seem to read it, try the new feature of Jmol 11 that allows
you to force Jmol to read the file as a given file type. The way you do
this is to give the file type along with two colons:
So,Liu hai, that is all you need in this case.
Most file types can be forced this way. The list of prefix file types is
not yet documented. It includes (I believe):
> I met a problem when using JMOL,when displaying a MOL2 ligand file,
>prompted an error "no atoms found...", while transformed by Sybyl to standard
>Mol2 format,it can be displayed normally.
> I just don't know what's the difference between the two Mol2 files,just add
>a space character at the end of each line in standard Mol2 format. So I report
>this problem to you and wanna find out what's the reason.
> I would appreciate for your rigorous attitude and effort if this problem can
>be explained,thanks! I attached the Mol2 files in email,please check it out.
>shanghai institute of organic chemistry(SIOC),Chinese Academy of Sciences
Robert M. Hanson
Professor of Chemistry
St. Olaf College
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900