Oops,
pasted wrong version of perl script:
>From PERL (OBConverter.pl):
#!/usr/bin/perl
use Chemistry::OpenBabel;
$chemdata = shift;
$serviceIn = shift;
$serviceOut = shift;
my $obMolIn = new Chemistry::OpenBabel::OBMol;
my $obConv = new Chemistry::OpenBabel::OBConversion;
$obConv->SetInAndOutFormats($serviceIn, $serviceOut);
$obConv->ReadString($obMolIn, $chemdata);
my $obOut=$obConv->WriteString($obMolIn);
print ("$obOut");
2011/1/25 kohai.raul [via Open Babel] <
[email protected]<ml-node%[email protected]>
>
> Hi all,
>
> problem Solved! ... if it could to help someone:
>
> From PHP:
>
>
>
> public function largeDataConverter($chemData,$inFormat,$outFormat){
>
> $file="OBConverter.pl @'$chemData' '$inFormat' '$outFormat'";
> $myVar = "";
>
> ob_start();
> passthru("$file");
> $myVar = ob_get_contents();
> ob_end_clean ();
>
> if (substr_count(strtolower($myVar), 'error')>0)
> $myVar="";
>
> return $myVar;
>
> //$myVar contains the conversion result from perl script.
>
> }
>
>
>
> From PERL (OBConverter.pl):
>
>
> #!/usr/bin/perl
>
> use Chemistry::OpenBabel;
>
> @chemdata = shift;
> $serviceIn = shift;
> $serviceOut = shift;
>
> my $obMolIn = new Chemistry::OpenBabel::OBMol;
> my $obConv = new Chemistry::OpenBabel::OBConversion;
>
> $obConv->SetInAndOutFormats($serviceIn, $serviceOut);
> $obConv->Read($obMolIn, @chemdata);
> my $obOut=$obConv->WriteString($obMolIn);
>
> print ("$obOut");
>
>
> This way, Perl admits $chemdata as SMI or MOL, all in string format, no
> external files needed.
>
> Thanks to this, I found that JME-SMI->MOL / or CML / or VMOL, etc.. have
> not the same results as JME-MOL->CML / or VMOL, etc ... because to spatial
> data??... maybe... as I said, I'm not chemist, but now I understand that
> SMI doesn't express the same information such as MOL, and there will be more
> resulting data in MOL->CML than SMI->CML
>
> Now, I can not only make use of JME.smiles() (from javascript), but
> JME.molFile() and obtain via "php-ob-bridge" conversions to CML, VMOL, INCHI
> .... through the flux:
>
> Web-Client (JME ->javascript molFile -> AJAX ) -> SERVER ( php +
> "ob-bridge" -> chem results available on php -> to DB or anything ) ->
> callback (JSON) -> javascript (on web client)
>
> Best Regards,
>
> ------------------------------
> If you reply to this email, your message will be added to the discussion
> below:
>
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>
>
--
--
Raúl Cruz
foro.fuentedepermacultura.org
"pro-curando..."
--
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