SMARTS have cancer - grow during multiple copy/paste

Hi


when working in MSketch and I I copy paste


[*,#1]1[*,#1]=[*,#1]1


I will get


[*,#1]-,:-,:1-,:[*,#1]=[*,#1]-,:-,:1


if I copy paste that I will get


[*,#1]-,:-,:-,:-,:1-,:-,:[*,#1]=[*,#1]-,:-,:-,:-,:1


and if I copy paste that I will get


[*,#1]-,:-,:-,:-,:-,:-,:-,:-,:1-,:-,:[*,#1]=[*,#1]-,:-,:-,:-,:-,:-,:-,:-,:1


and then


[*,#1]-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:1-,:-,:[*,#1]=[*,#1]-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:1


and then


[*,#1]-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:1-,:-,:[*,#1]=[*,#1]-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:-,:1


and then ... (I stopped)





So I assume there are two things wrong.


1) From the first to the second one the SMARTS structure itself change


2) It starts growing like hell from the second one.





This is MarvinSketch 5.1.0





Bye


Tobias

Dear Tobias,





Thank You for this report. We will check it and notify You in this forum.





Regards,


Gabor

Dear Tobias,


Thank you very much for the report!


We have fixed the bug and the next release will contain the fix.


The resulted smarts will describe the bonds exactly and keep its length.

Code:

>molconvert smarts -s '[*,#1]1[*,#1]=[*,#1]1' [*,#1]-,:1-,:[*,#1]=[*,#1]-,:1 > molconvert smarts -s '[*,#1]1[*,#1]=[*,#1]1'|molconvert smarts - [*,#1]-,:1-,:[*,#1]=[*,#1]-,:1 > molconvert smarts -s '[*,#1]1[*,#1]=[*,#1]1' | molconvert smarts -|molconvert smarts - [*,#1]-,:1-,:[*,#1]=[*,#1]-,:1

Andras