bugAdun - Bugs: bug #11415, Duplicate PDB ATOM Entries and...

 
 
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bug #11415: Duplicate PDB ATOM Entries and residue numbering.

Submitted by:  Michael Johnston <mjohnston>
Submitted on:  Wed 02 Apr 2008 04:40:14 PM UTC  
 
Category: NoneSeverity: 2 - Minor
Priority: 5 - NormalStatus: Confirmed
Privacy: PublicAssigned to: Michael Johnston <mjohnston>
Open/Closed: OpenRelease: None
Operating System: NonePlanned Release: None

Wed 02 Apr 2008 04:42:08 PM UTC, comment #1:

Added example pdb.
Contains duplicate atoms in GDP.

(file #4119)

Michael Johnston <mjohnston>
Project AdministratorIn charge of this item.
Wed 02 Apr 2008 04:40:14 PM UTC, original submission:

Adun does not fully handle duplicate atom entries in a pdb.
The duplicate atoms are ignored and the system successfully built, however the number of atoms assigned to the residue with the duplicate atoms will be incorrect.
(It will include the number of duplicate atoms).

This currently mainly effects writing pbds, which will fail to output a pdb for such systems.
Although other parts of the program that attempt to use the atoms per residue information will also be affected by this bug.

Michael Johnston <mjohnston>
Project AdministratorIn charge of this item.

 

Attached Files
file #4119:  1zvqalignedH.pdb added by mjohnston (213kB - chemical/x-pdb)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -unavailable- added by mjohnston (Submitted the item)
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    Follows 1 latest change.

    Date Changed By Updated Field Previous Value => Replaced By
    Wed 02 Apr 2008 04:42:08 PM UTCmjohnstonAttached File-=>Added 1zvqalignedH.pdb, #4119
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