Synthesizer XML

Hi,





can i do more than one <edge> step with the same reaction type.





i will give u one eg:


<Reactions>


<Reaction ID="r1" Structure="indole synthesis.mrv"/>


</Reactions>

















<Graph>


<Sets Result="RESULT"/>


<Rule>


<![CDATA[


Ncount(product(0)) + Ocount(product(0)) + Scount(product(0)) <= 10


&& mass(product(0)) <= 700


]]>


</Rule>


<Edge From="new_scaffold,halo" To="RESULT" RID="r1"/>





<Edge From="halo,new_scaffold" To="RESULT" RID="r1"/>





</Graph>





But it showing error, so is it not possible that with the same reaction id and reaction type, more than one synthesis is possible.


when i created another reaction id, say r2, with the same reaction then it was working..


so is there any other way??/

can you please send me some papers which is regarding to this synthesis program.i would like to know more about bthe same program.





if i am using this program for creating my own library , how can i make it possible with the <Edge From="new_scaffold,halo" To="RESULT" RID="r1"/> tag.





for example, in your given e.g.


<Edge From="alkyne,scaffold" To="product1" RID="r1"/>


<Edge From="product1,amine" To="product2" RID="r2"/>


<Edge From="carboxylic-acid,product2" To="RESULT" RID="r3"/>


the edge tag is like this.


is this only an e.g of possible combination or can i have more?


can you please give some papers regarding this R- groups and reaction type selection according to the scaffold or can you guide me?


also the <evaluator> tag is there in the xml.so that evaluation is for the reactants or the products??