at 3.06p EDT on 2003 December 09 Tuesday Miguel Howard said:
> > in any case, what file formats does Jmol plan to support?
> Tim,
>
> The following is a collection of random statements about the current
> status of Jmol/CDK file support and integration:
>
[...]
>
> We need to get these issues wo
> in any case, what file formats does Jmol plan to support?
Tim,
The following is a collection of random statements about the current
status of Jmol/CDK file support and integration:
The development version of Jmol has an interface called the
'JmolModelAdapter'. This interface separates the file
at 10.40a EDT on 2003 December 09 Tuesday Peter Murray-Rust said:
> At 10:20 09/12/2003 +0100, Miguel Howard wrote:
>
> > > And better formats.
> >
> >Formats like ... CML for example ... :-)
>
> The crystallographic community has designed mmCIF for this purpose. CML can
> be used for proteins
At 10:20 09/12/2003 +0100, Miguel Howard wrote:
> And better formats.
Formats like ... CML for example ... :-)
The crystallographic community has designed mmCIF for this purpose. CML can
be used for proteins but some of its support is limited although I am
getting requests to add PDB-like field
> And better formats.
Formats like ... CML for example ... :-)
Miguel
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At 20:41 08/12/2003 +0100, Miguel Howard wrote:
Peter,
As you know, .pdb files normally don't contain either hydrogens or bond
order.
Yes. NMR structures sometimes contain *some* hydrogens. XRay ones normally don.
Therefore, when you see a C-O you don't know if it is a C=O or a C-O-H
Yes. It's a
