Bugs item #957304, was opened at 2004-05-20 11:55
Message generated for change (Comment added) made by egonw
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https://sourceforge.net/tracker/?func=detail&atid=379133&aid=957304&group_id=23629

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Category: File Input/Output
Group: None
>Status: Closed
>Resolution: Wont Fix
Priority: 5
Submitted By: Miguel (michaelthoward)
Assigned to: Miguel (migueljmol)
Summary: 2d cml files

Initial Comment:
Need to do something about 2D CML files:


---------------------------- Original Message
---------------------------- Subject: Re: [Cdk-user]
Xindice, CML and Jmol problems
From:    "Miguel" <[EMAIL PROTECTED]>
Date:    Thu, May 20, 2004 11:53
To:      "Ola Spjuth" <[EMAIL PROTECTED]>
Cc:      [email protected]
--------------------------------------------------------------------------

> 5) When trying to view my CMLexported 2D-molecules in
Jmol (tried latest 10beta9) I only get one big carbon.
Manual changes in the .cml-file (changing x2 and y2
values on the atoms) doesn't help. If I add a z2
parameter and set the values different for the atoms I
get a molecule (no bonds) that I at least can rotate in
space. Any ideas why a change in the x2 and y2
parameters does not change the Jmol appearance? Is this
because Jmol only supports cml up to v 1.0.1 and CDK
outputs in cml v 2? Or am I simply missing a key point
here? If I export in .mol format everything looks nice
in Jmol so it must be a cml-problem. I can post the cml
files if necessary.

Jmol does not support 2D files.

We probably should detect 2D files and put up an error
message.

Sorry for the trouble.


Miguel

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

>Comment By: Egon Willighagen (egonw)
Date: 2006-03-05 19:25

Message:
Logged In: YES 
user_id=25678

With Bioclipse around the corner, this bug report is no
longer worth addressing in Jmol.

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

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379133&aid=957304&group_id=23629


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