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Wedge error question
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Andrew

Joined: 17 Jun 2009
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Link to postPosted: Tue Jan 31, 2012 6:58 amPost subject: Wedge error question Reply with quote

Hi,

The attached file contains two structures.  Each of the structures is said to have wedge errors (according to MarvinSketch 5.4.1.1, Windows XP served from Solaris).  Can you clarify what is wrong with the wedges?  And also why Marvin can't fix them? (if we have Marvin "fix" the errors, then they are still there if we do another structure check)

Thanks very much.

Andrew




 Filename: Problematic_Wedge_Bond_Examples.cdx    Filesize: 3.32 KB    Downloaded: 122 Time(s)
 Description:  
Viktoria
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Joined: 27 Dec 2010
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Link to postPosted: Wed Feb 01, 2012 3:14 pmPost subject: Reply with quote

Hi Andrew,

It is a bug, thank you for reporting it. We will fix it ASAP.

Best Regards,

 

Viktoria

Andrew

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Link to postPosted: Thu Feb 02, 2012 12:35 amPost subject: Reply with quote

Thank you very much .. glad to know we aren't going crazy .. smile.

Andrew

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Link to postPosted: Wed Feb 22, 2012 3:57 amPost subject: Reply with quote

Hi,

Do you have an estimate for when this bug will be fixed?

Thanks,

Andrew

Zsolt
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Joined: 11 Jan 2006
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Link to postPosted: Thu Mar 01, 2012 11:47 amPost subject: Reply with quote

Hi,

Fix can be expected in Marvin 5.10 version.

Zsolt

Andrew

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Link to postPosted: Fri Mar 02, 2012 7:56 amPost subject: Reply with quote

Thank you.  Do you know if that is weeks away?  Months?  The current version of Marvin seems to be 5.8.3, which seems a long way from 5.10 .. smile.

Thanks, Andrew

István
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Joined: 03 Dec 2007
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Link to postPosted: Fri Mar 02, 2012 3:01 pmPost subject: Reply with quote

Hi Andrew,

according to our current status and policies, 5.9 will be released late next week (it is in beta stage now), and 5.10 will be released about 3-4 months later.

Regards,
Istvan

Andrew

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Link to postPosted: Sun Mar 04, 2012 8:22 pmPost subject: Reply with quote

Thanks!

Andrew

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Link to postPosted: Wed Jun 06, 2012 10:28 pmPost subject: Reply with quote

Hi,

Will this fix be making it into 5.10?

Thanks,

Andrew

Zsolt
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Link to postPosted: Fri Jun 08, 2012 9:40 amPost subject: Reply with quote

Yes, the reported bug will be fixed in 5.10. Wedge error checker will not report error for the atached molecule.

Zsolt

Andrew

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Link to postPosted: Thu Jun 14, 2012 3:27 pmPost subject: Reply with quote

Thanks for confirming!

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