Le 13-01-2016 à 20:58, Paul PILLOT a écrit :
Hi Eric,
rcsb implements a REST API that you can query through Ajax to get many answers
to a lot of question.
Here is an example of code I designed to get informations from a PDB, such as
the number and names of chains, the ligands, the related pubm
Here's another idea: Check the "divided" directory at RCSB for the file
size:
x = "1crn"
print load("http://ftp.wwpdb.org/pub/pdb/data/structures/divided/pdb/
*"+x[2][3]+"*/").lines.find(x)[0].trim().split(" ")[0]
The result will be something like "1.5M" or "33K"
On Wed, Jan 13, 2016 at 5:00 P
That looks wonderful, Rolf.
I'll let you know after I try it.
Thanks so much!!
-Eric
On 1/13/16 2:28 PM, Rolf Huehne wrote:
> On 01/13/2016 08:22 PM, Rolf Huehne wrote:
>> On 01/13/2016 07:37 PM, Eric Martz wrote:
>>> Dear Angel (and everyone),
>>>
>>> For years I have wanted a way to find out (in
On 01/13/2016 08:22 PM, Rolf Huehne wrote:
> On 01/13/2016 07:37 PM, Eric Martz wrote:
>> Dear Angel (and everyone),
>>
>> For years I have wanted a way to find out (in javascript or in JSmol)
>> the number of atoms (or molecular weight) of a PDB entry before
>> attempting to load it into JSmol. Bu
On 01/13/2016 07:37 PM, Eric Martz wrote:
> Dear Angel (and everyone),
>
> For years I have wanted a way to find out (in javascript or in JSmol)
> the number of atoms (or molecular weight) of a PDB entry before
> attempting to load it into JSmol. But I have not known how to do this.
>
> If you know
Having read the question more thoroughly, a thought, albeit specific to RCSB...
You could use AJAX to read the following with a server side script :
http://www.rcsb.org/pdb/download/downloadFile.do?fileFormat=pdb&compression=NO&structureId=1smd
You can’t read RCSB files directly client side like
Thanks, Otis,
But I need to know BEFORE I load the model(s).
I envision this as being a two-step process.
Given a PDB code, first query to find out the weight or number of atoms
and number of models.
Then decide how to load:
-all atoms, all models?
-all atoms, model 1 only?
-alpha carbons and nuc
Oops! You want it before it loads.
Hmmm...
--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org
> On Jan 13, 2016, at 1:44 PM, Otis Rothenberger wrote:
>
> Eric,
>
> alert(Jmol.evaluateVar(jmolApplet0, "{*}.size”))
>
> should do the trick.
>
> Otis
> --
> Otis Rothenberger
> o...@chem
Eric,
alert(Jmol.evaluateVar(jmolApplet0, "{*}.size”))
should do the trick.
Otis
--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org
> On Jan 13, 2016, at 1:37 PM, Eric Martz wrote:
>
> Dear Angel (and everyone),
>
> For years I have wanted a way to find out (in javascript or in JSmol
Dear Angel (and everyone),
For years I have wanted a way to find out (in javascript or in JSmol)
the number of atoms (or molecular weight) of a PDB entry before
attempting to load it into JSmol. But I have not known how to do this.
If you know, please send me a sample of the code.
When the siz
Excellent!
Thanks a lot, Rolf
--
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On 01/12/2016 06:21 PM, Angel Herráez wrote:
> Hi all
>
> I am trying to parse some data that is, as far as I can guess, in JSON format
> Data is at http://www.ebi.ac.uk/pdbe/api/pdb/entry/molecules/2k8v
>
> I am trying to do
> f = load("http://www.ebi.ac.uk/pdbe/api/pdb/entry/molecules/2k8v";)
>
Hi all
I am trying to parse some data that is, as far as I can guess, in JSON format
Data is at http://www.ebi.ac.uk/pdbe/api/pdb/entry/molecules/2k8v
I am trying to do
f = load("http://www.ebi.ac.uk/pdbe/api/pdb/entry/molecules/2k8v";)
and "print f" shows it
{"2k8v":[{
"entity_id":1,
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