[Cdk-devel] [ cdk-Bugs-645283 ] MDLWriter does not write property block

[SourceForge.net <no...@so...>]

Bugs item #645283, was opened at 2002-11-28 15:14
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=120024&aid=645283&group_id=20024

Category: cdk-io module
Group: None
>Status: Closed
>Resolution: Rejected
Priority: 5
Submitted By: Peter Murray-Rust (petermr)
>Assigned to: Egon Willighagen (egonw)
Summary: MDLWriter does not write property block

Initial Comment:
MDLWriter announces that it wries a propertyBlock as in 
line += "  0  0  0  0  0  0  0  0  1 V2000";
but does not actually write a property block. Since I don't 
know what the contents of the missing PB are I can't submit 
a fix.

The bug cause crashes with CDK MOL files read into IChI 
and other software which conforms to MDL spec



----------------------------------------------------------------------

>Comment By: Egon Willighagen (egonw)
Date: 2003-02-24 22:55

Message:
Logged In: YES 
user_id=25678

The MDL molfile specs (2002-08 version) mention that the 'mmm' 
field counts the number of lines in the property block *including* 
the 'M  END' line... And this is true at this moment, except when 
charges are outputed...  

----------------------------------------------------------------------

Comment By: Peter Murray-Rust (petermr)
Date: 2002-11-29 13:03

Message:
Logged In: YES 
user_id=125666

I think this was a brainstorm late at night - it don't think it's a bug. 
(However a useful feature will be to write properties).

petermr

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=120024&aid=645283&group_id=20024