Bob's and Nick's comments reminded me of a limitation I found out 
this summer: 1,5 order bond order is not recognized from MDL MOL 
files.
To summarize current state (tested in 11.3.26):

Bond order 0.5:
        "partial" in connect and bondOrder commands
        unavailable in MOL, but could be type 8 ("any"); Jmol already 
renders 8 as partial.

Bond order 1:
        "single"
        type 1 in MOL

Bond order 1.25:
        not implemented in Jmol
        type 6 in MOL, "single/aromatic" [[ I don't think there is need to 
support this ]]

Bond order 1.5:
        "partialDouble"
        type 5 in MOL, but fails in Jmol, no bond is drawn [[ this must be 
fixed, I see it as a bug ]]

Bond order 1.5 also:
        "aromatic"
        type 4 in MOL

Bond order 1.75:
        not implemented in Jmol
        type 7 in MOL, "double/aromatic" [[ I don't think there is need to 
support this]]

Bond order 2:
        "double"
        type 2 in MOL

Bond order 2.5:
        not implemented in Jmol, but requested
        not available in MOL

Bond order 3:
        "triple"
        type 3 in MOL

Bond order 4:
        "quadruple"
        not available in MOL


-------------------------------------------------------------------------
This SF.net email is sponsored by: Splunk Inc.
Still grepping through log files to find problems?  Stop.
Now Search log events and configuration files using AJAX and a browser.
Download your FREE copy of Splunk now >> http://get.splunk.com/
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users

Reply via email to