Reactor 5.5.0.1 Only Handles < 100 Reagents

User 2347372188

01-08-2011 18:10:25

Hello.  The latest version of Reactor won't let me load more than 100 reagents.  This is a problem.  One of the main reasons I use Reactor is its ability to enumerate large libraries.  Thanks.


 


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ChemAxon d76e6e95eb

02-08-2011 06:57:43

I tried it with 5.5.0.1 and 5.5.1 (the latest) Reactor versions and did not experience such issue. I suppose, that you use the wizard. Maybe the problem is related with one of your input structures, you may want to try to check the "ignore errors" checkbox on the options page to continue the enumeration even in case of an errorneous reagent.


If that does not help, can you please provide a reaction and reactants that we can use for the reproduction of the problem?

User 2347372188

02-08-2011 16:22:31

I meant to say that I am using version 5.5.1 not 5.5.0.1.  I'm not sure where the "ignore errors" checkbox is. It is probably past the "specify reagents" page. 


I included screen shots of the error messages.  I get the first dialog when I specify my second reagent file.  I get the second dialog when I leave the "record number" dialog blank.  It clearly does not want me to load more than 100 records.  I was thinking it might be a licensing issue, but Reactor acknowledges that it is licensed.


 


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ChemAxon e08c317633

03-08-2011 10:20:06

Hi,


Please use the "Open molecule file" icon on toolbar to open a reactant file (see the attached image). It will allow you to open as many molecules as you want.


The dialog shown in the attached ppt is a MarvinSketch molecule open dialog. It can be used to import  multiple molecules as one multifragment molecule. It can open only 100 molecules or less.


Zsolt