Technical Support Forum Index
Technical Support Forum
Access ChemAxon scientists and developers here. For registration and login issues contact website support.
clearing atom maps
To watch this topic for replies  Register (enables digests) or give email address:
Reply to topic
Display posts from previous:   
    View previous topic :: View next topic    
Author Message
guest

Joined: 24 Jun 2004
Posts: 57

View user's profile

Back to top
Link to postPosted: Mon Oct 04, 2004 10:52 amPost subject: clearing atom maps Reply with quote

How can I clear atom maps?

received via e-mail:
Quote:

I have a molfile with the atom-atom mapping column populated with
non-zero values. When I run molconvert on it, the SMILES contains the values so it looks something like:

[O:30]=[C:26]([O:24]......
Nora
ChemAxon personnel
Joined: 25 Jun 2004
Posts: 236

View user's profile
Visit poster's website

Back to top
Link to postPosted: Mon Oct 04, 2004 10:57 amPost subject: Re: clearing atom maps Reply with quote

You can do this by calling MolAtom.setAtomMap(0).

Example:

Code:

java ClearMaps test.sdf
CCCC1CCCC(C1)C(C)NC
C1COC2CC3OCCCC3CC2C1



 Filename: test.sdf    Filesize: 2.62 KB    Downloaded: 821 Time(s)
 Description:  test input file

 Filename: ClearMaps.java    Filesize: 441 Bytes    Downloaded: 877 Time(s)
 Description:  test program
Reply to topic
Page 1 of 1


To watch this topic for replies   Register (enables digests) or give email address  
Jump to:  
You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot vote in polls in this forum
You cannot attach files in this forum
You can download files in this forum