Stereochemistry display

Hi.


We have a stereochemistry display problem with marvin between two versions (see pictures attached).


The parameters used are the same


mview_name="MView";


mview_begin("./marvin","500","200");


mview_param("chiralitySupport","selected");


mview_param("bgcolor","#b0b0b0");


mview_param("molbg","#F0F0F0");


mview_param("dispopts","implicitH=off");


mview_param("extrabonds","arom,any,1or2,wedge,either,ctu");


mview_param("queryatoms","any,hetero,list,notlist");


mview_param("undo","50");


mview_end();





On the 3.2, there is two (S) for the chiral atoms, while there is only one in the 3.5 version.


A direct copy/paste between both version results in different display.


Do you have an explanation about this behaviour, and is it something you will correct if it is an error ? Thank you a lot in advance for your answers.


Fabien.

Is this the first atom in the structure where the R/S label does not display? You can check its' atom index if you switch on atom number displaying (<i>View->Misc->Atom numbers</i>) in Marvin.





If its atom index is "1", it is a known bug. The current Marvin does not display chiral flags on the first atom of the molecule (unless you switch on atom number displaying).





We have already fixed this bug. The bugfix will be available in the next release.





If the above atom (where the chiral label is hidden) is not the first in the structure, it may be a new bug. In this case, we need the molecule source to be able to check the problem.

Hi Tamas. Thank you for your reply.


Seems it is atom number 1...


When did you plan to realease the next version of marvin ?





Regards,


Fabien.

The new version is planned to be released in a few day.