Feature request: Structure alignmet in hit lists.

Hi,





Chemists are very visual oriented when comparing chemical structures.





Currently, when a structure is drawn and a substructure search is executed all hits are displayed without a particular orientation.





It would help a lot if all structures on a hit list are actually drawn in the same exact orientation used in the query.





What do you think?





Thanks.





- Guillermo.

This is implemented and should be working as default. All hits will be aligned to orientation of the query, and, for substrucutre searches, the substructure should be displayed in a different colour.


It is possible to turn this off, and change the colours that are used.


Can you check the default settings you have for this (Tools -> Options: Structure display) and check that you have this turned on by default.


It can also be turned on/off for a particular grid view. Open the display settings and look as the settings for the structure field.





But plesae note that there have been several enahncements made to this in recent time, particularly for 3D structures. You may wnat to wait for the new version (imminnent) before trying this.





Tim

Hi Tim,





On the topic's title I forgot to mention that this only happens with molecules with 3D coordinates.





I can confirm that with 2D coordinates all structures are displayed with the same orientation of the substructure used in the query.





But with compounds that have 3D coordinates IJC does not do that.





I can hardly wait for the next IJC release. Perhaps this has been fixed in it?





Thanks.





- Guillermo.

Yes, its workign nicely for 2D and for 3D.


The new release is coming very soon. Honest!





Tim