BALL Bug Tracker
(Report your BALL bugs here!)
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(Anonymous)
94.
Problems reading mol2 files
Status: Pending •
Topic: Backend •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
reading mol2 files containing
@<TRIPOS>SET
UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms
148 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \
0 0 0 0 0 3 4 5 6 7 8 9 10 11 12 13 14 15 \
26 27 28 29 30 31 32 33 34 35 36 0 0 ...
Submitted by annedehof on 2008-05-30 •
Last modified: 2008-05-30
(35.1
days ago)
93.
BoxIterator description
Status: Pending •
Topic: UI •
Importance:
Low
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
The description of the BoxIterator is wrong.
On webpage
http://www.ball-project.org/Documentation/1.2/V1.2/classBALL_1_1HashGridBox3_html
in section "Member Typedef Documentation" it suggests ...
Submitted by michael on 2008-05-29 •
Last modified: 2008-05-29
(35.9
days ago)
92.
Problem with unicode in BALL
Status: Pending •
Topic: UI •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
BALL currently seems to assume that strings (in particular the results of system calls) are standard ASCII. This leads to problems at least under windows. We should think about switching to unicode support.
Submitted by anhi on 2008-05-07 •
Last modified: 2008-05-07
(58.3
days ago)
91.
acetic acid should not be recognized as an amino acid
Status: Pending •
Topic: Backend •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
Currently Peptides::isAminoAcid recognizes ACE-residues as amino acids.
This is probably wrong :-)
Submitted by annedehof on 2008-04-23 •
Last modified: 2008-04-23
(72.0
days ago)
90.
Ballview / stack overflow
Status: Pending •
Topic: Backend •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
Compiled under windows w/ vc++ 9(express) + qt4.3.4(opensource) + xp without no error
(it took quite effort)
When tried to run, splash screen appeared but program exited w/ runtime error. Debugging
traced back ...
Submitted by onur on 2008-04-14 •
Last modified: 2008-04-14
(81.3
days ago)
85.
SegmentationFault in BALLView when parsing SMILES
Status: Pending •
Topic: UI •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
Just open the "Build from SMILES" dialog in BALLView, enter morphine and start a Pubchem query.
Alternatively enter the SMILE for morphine directly and hit "Generate"
In both cases BALLView crashes with a segmentation ...
Submitted by dstoeckel on 2008-01-30 •
Last modified: 2008-01-30
(156.0
days ago)
84.
Expressions should not change the bond orders
Status: Accepted •
Topic: Backend •
Importance:
High
•
Assigned: anhi, bertsch, oliver •
# Followups: 2 •
Uploads: 0 •
Refs: 0
Our current implementation of SMARTS and Expression matching uses the aromaticity processor to find aromatic bonds. This is potentially dangerous, since it changes the bond orders of the molecules in an unexpected ...
Submitted by anhi on 2008-01-11 •
Last modified: 2008-01-13
(173.0
days ago)
80.
matchPoints in StructureMapper may fail
Status: Pending •
Topic: UI •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
In the case of w3 is already located in the plane of v1 v2 v3 prior to the computation of the last transformation but needs a rotation of PI around the axis v1-v2, the dot product of the vectors axis_w and axis_v equals -1. ...
Submitted by janfuh on 2007-11-26 •
Last modified: 2007-11-26
(220.8
days ago)
78.
disable-VIEW inconsistencies on MacOSX
Status: Pending •
Topic: UI •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
Disable view on MacOSX fails, because there is no noview contrib. The autobuild script should handle this and install the full contrib (Qt as overhead).
Submitted by bertsch on 2007-10-26 •
Last modified: 2007-10-26
(251.8
days ago)
77.
Inconsistency with pointers and references
Status: Pending •
Topic: Backend •
Importance:
Medium
•
Assigned: •
# Followups: 1 •
Uploads: 0 •
Refs: 0
The library interface implies that the Element object is copied internally into the Atom like the string fields since the set method takes a const reference and the get method returns a const ref. However, acting on this ...
Submitted by drussel on 2007-10-16 •
Last modified: 2007-10-16
(262.5
days ago)
PloneCollectorNG (C) 2003-2004 by ZOPYX - Software Development and Consulting Andreas Jung
