Release 2.5.1
A quick bug fix to handle the nitration of an aromatic ring reaction in the pathway search engine. Previously, the rules for the reaction did not require that the carbon atom of the aromatic ring have a free valence electron to attach to the nitrite group, resulting in incorrect products of the reaction. This was most noticeable when attempting to find a cost optimized pathway from phenol to acetaminophen. Avaiable valence electron checking was implemented to the pathway search engine. This check also applies to oxidation reactions requiring a free valence electron to form a carbonyl bond. It is anticipated future reactions will make use of this check as well.
An "auto-scale" feature was added for the drawing of molecules in the interface. This will prevent "clipping" due to drawing boundary issues of more complex molecules automatically. Notably acetaminophen, when drawn in the pathway view, is no longer clipped.
And again! Please consider checking out our contact page and leave feedback. Every little bit helps a lot!!
A quick bug fix to handle the nitration of an aromatic ring reaction in the pathway search engine. Previously, the rules for the reaction did not require that the carbon atom of the aromatic ring have a free valence electron to attach to the nitrite group, resulting in incorrect products of the reaction. This was most noticeable when attempting to find a cost optimized pathway from phenol to acetaminophen. Avaiable valence electron checking was implemented to the pathway search engine. This check also applies to oxidation reactions requiring a free valence electron to form a carbonyl bond. It is anticipated future reactions will make use of this check as well.
An "auto-scale" feature was added for the drawing of molecules in the interface. This will prevent "clipping" due to drawing boundary issues of more complex molecules automatically. Notably acetaminophen, when drawn in the pathway view, is no longer clipped.
And again! Please consider checking out our contact page and leave feedback. Every little bit helps a lot!!
