Francis Turner wrote: > Ok so this is a little weird. > > I'm trying to automate queries of chemical structures from > http://www.chemweb.com/tools/acdlabs-name which uses the chime plugin > from mdl to create the chemical structure. > > Actually though its just using a MOL file which is a representation that > I can easily create, but its also doing somehting else as well which is > not the MOL file but seems to be a not completely random string. > > Can anyone explain this? >
Some more info as that wasn't vrey clear. The initial page with the plugin has a form with a GET action where the "structure" field is this string. This get post then goes to another page which has a completely hidden field with the MOL field in it which it then posts to a third page The second form looks like (trivial example) <form name="main_form" method="post" action="http://aps2.chemweb.com/cgi-bin/v3_ilab_entry.pl";><input type="hidden" name="version" value=""><input type="hidden" name="action" value="predict"><input type="hidden" name="dbName" value="iunamefree"><input type="hidden" name="calculate" value="IUNAMEFREE"><input type="hidden" name="structure" value="kaghJZ4AsNwQW2563UFdFnYtOp^uf1aN9n^WoGFCwaIZTNImfiLkCzlGApHenNFapdUQG0D9yk7TCpiVE0pVOm1MQYDMYEx2HaMzaYan$pH7LiQG$eHcBuCaVBbt7EAgKfvTwbrAOFTDIB3pbSdXCr2NUgy^FLscgA1smlXSjmpFJdJmi5sFC7iDy^$yCiI2v0LX3luyjMny9R^qp85o8BcEsnKVVx69$w$a2LfV$3oWVt2XCGG^y0xmA8gU9P6$CYO^5Ny8EB"><input type="hidden" name="molID" value="C6H12O2.iunamefree"><input type="hidden" name="mol" value="%0A++++++++++07170210382D+1+++1%2E00000+++++0%2E00000+++++0%0A%0A++8++7++0+++++0++0++++++++++++999+V2000%0A+++%2D3%2E2792++++0%2E0625++++0%2E0000+C+++0++0++0++0++0++0+++++++++++0++0++0%0A+++%2D2%2E5647++++0%2E4750++++0%2E0000+C+++0++0++0++0++0++0+++++++++++0++0++0%0A+++%2D1%2E8502++++0%2E0625++++0%2E0000+C+++0++0++0++0++0++0+++++++++++0++0++0%0A+++%2D1%2E1358++++0%2E4750++++0%2E0000+C+++0++0++3++0++0++0+++++++++++0++0++0%0A+++%2D0%2E4213++++0%2E0625++++0%2E0000+C+++0++0++0++0++0++0+++++++++++0++0++0%0A++++0%2E2932++++0%2E4750++++0%2E0000+C+++0++0++0++0++0++0+++++++++++0++0++0%0A+++%2D1%2E1358++++1%2E3000++++0%2E0000+O+++0++0++0++0++0++0+++++++++++0++0++0%0A+++%2D0%2E4213+++%2D0%2E7625++++0%2E0000+O+++0++0++0++0++0++0+++++++++++0++0++0%0A++4++5++1++0+++++0++0%0A++2++3++1++0+++++0++0%0A++5++6++1++0+++++0++0%0A++1++2++1++0+++++0++0%0A++4++7++1++0+++++0++0%0A++3++4++1++0+++++0++0%0A++5++8++2++0+++++0++0%0AM++END%0A"><input type="hidden" name="returnUrl" value="http%3A%2F%2Fwww%2Echemweb%2Ecom%2Ftools%2Facdlabs%2Dname"></form> It seems to me that the structure value is being converted to the MOL format which I can create myself if necessary but what I do not know is what the initial format is? Francis -- Francis Turner, CIO Juelich Enzyme Products GmbH ***** new contact details ***** [EMAIL PROTECTED] - http://www.biocatalysis.com +49-611-962-4693(office) +49-173-291-7278(cell) If you're not part of the solution, you're part of the precipitate. -- Henry J. Tillman
