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,
--
View this message in context:
http://forums.openbabel.org/MOL-file-as-string-by-parameter-and-JME-tp3233189p3236634.html
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