Then mmCIF is perfect for you. Just create one loop like I showed, along
with those two necessary header lines. Done.
On Fri, Jan 30, 2015 at 8:04 AM, Rolf Huehne wrote:
> On 01/29/2015 10:21 PM, Robert Hanson wrote:
> > My point was that you can easily create a CIF with Perl or anything else
>
On 01/29/2015 10:21 PM, Robert Hanson wrote:
> My point was that you can easily create a CIF with Perl or anything else
> that Jmol will parse *for the information in the ATOM/HETATM/CONECT lines*,
> which is what it sounded like you were saying. You did not refer to
> specific REMARK records. Some
My point was that you can easily create a CIF with Perl or anything else
that Jmol will parse *for the information in the ATOM/HETATM/CONECT lines*,
which is what it sounded like you were saying. You did not refer to
specific REMARK records. Some of those are more involved.
Basically you just add
On 01/29/2015 06:21 PM, Robert Hanson wrote:
> I guess it must have to do with what you mean by "etc"?? Maybe I did not
> understand your original question:
>
>
>
>
>
>
>
>
> *Hi all, I am looking for a replacement for the PDB format that offers the
> same options like predefined atom numbers, atom
I guess it must have to do with what you mean by "etc"?? Maybe I did not
understand your original question:
*Hi all, I am looking for a replacement for the PDB format that offers the
same options like predefined atom numbers, atom names, residue names etc.
after loading into Jmol. But witho
On 01/28/2015 08:23 PM, Robert Hanson wrote:
> In terms of parsers for *all *the information in an mmCIF file, there are
> several out there. I happen to think Jmol's is the best. It's
> Java/JavaScript; there are C++ versions as well. Basically, when you load
> JSmol, you have a complete CIF pars
I still don't understand your point, Rolf. mmCIF provides a very simple
format -- about as simple as XYZ format, as you can see there in what I
sent. You can design it just about any way you like; it's extremely easy to
parse with a program and easy to read as a human. Why the griping? XML
requires
On 01/28/2015 06:58 PM, Robert Hanson wrote:
> I think if you believe mMCIF is "horrible" then you should look again. You
> can
> basically put a standard PDB file straight into it with a simple header
> that identifies
> the fields. What could be easier than that? -- Same data used twice, though
>
On Wed, Jan 28, 2015 at 11:33 AM, Rolf Huehne
wrote:
> Hi all,
>
> I am looking for a replacement for the PDB format that offers the same
> options like predefined atom numbers, atom names, residue names etc.
> after loading into Jmol. But without the restrictions of the PDB format
> regarding at
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