Camelia, the Perl 6 bug

IRC log for #cdk, 2008-06-24

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All times shown according to UTC.

Time Nick Message
01:11 CIA-33 cdk: rajarshi * r11432 /cdk/trunk/src/ (2 files in 2 dirs):
01:11 CIA-33 cdk: Updated matching method to allow for more natural code when dealing with
01:11 CIA-33 cdk: conformers. basically, the user must now loop over a set of conformers and for
01:11 CIA-33 cdk: each conf call the matches method. However, the full pharmacophore group
01:11 CIA-33 cdk: detection is only performed for the first conformer - for subsequent conformers
01:11 CIA-33 cdk: this step can be skipped. The advantage is that now the user can access matching
01:11 CIA-33 cdk: pcore atoms/bonds for each conformer
03:40 egonw joined #cdk
03:47 CIA-33 cdk: egonw * r11433 /cdk/trunk/src/ (2 files in 2 dirs): Added a convenience method to get the monoisotopic mass of the major isotope only chemical formula
03:47 CIA-33 cdk: egonw * r11434 /cdk/trunk/src/ (2 files in 2 dirs): Added parsing of the CID
04:00 CIA-33 jmol: nicove * r9519 /trunk/Jmol-FAH/projects/p894.xyz.gz: Folding@Home
04:59 jbrefort joined #cdk
05:02 bag joined #cdk
06:20 carsten joined #cdk
07:12 masak joined #cdk
07:15 malick joined #cdk
07:46 jpansanel moin
08:09 jonalv joined #cdk
08:12 thomas_ku joined #cdk
08:13 thomas_ku moin
08:23 jpansanel moin
08:39 shk3 joined #cdk
09:21 jonalv left #cdk
11:19 jpansanel /home/groups/c/ch/chemdb/htdocs/wiki
11:20 jpansanel is ok
11:32 jbrefort joined #cdk
13:22 jonalv joined #cdk
13:57 jonalv joined #cdk
22:55 CIA-33 cdk: rajarshi * r11435 /cdk/trunk/src/ (2 files in 2 dirs):
22:55 CIA-33 cdk: A minor modification to the pcore matcher that allows one to specify logically
22:55 CIA-33 cdk: or'd SMARTS patterns for a given pharmacophore group. Thus one can specify a
22:55 CIA-33 cdk: pcore group defined by c1ccccc1 or a C1CCCC1. The notation to specify these
22:55 CIA-33 cdk: types of SMARTS is c1ccccc1|C1CCCC1. This differs from the standard logical or
22:55 CIA-33 cdk: SMARTS operator since that only matches single atoms
22:56 CIA-33 cdk: rajarshi * r11436 /cdk/trunk/src/data/pcore/multismartpcore.sdf: Added a test case for the new multi SMARTS pcore definition support
23:48 CIA-33 jmol: hansonr * r9520 /trunk/Jmol/src/org/jmol/ (4 files in 2 dirs): (log message trimmed)
23:48 CIA-33 jmol: version=11.5.43_dev # new feature: extended quaternion math
23:48 CIA-33 jmol: #
23:48 CIA-33 jmol: # q = quaternion({x y z}, angleDegrees)
23:48 CIA-33 jmol: # q = {qx, qy, qz, qw}
23:48 CIA-33 jmol: #
23:48 CIA-33 jmol: # returning component values:
23:51 CIA-33 jmol: hansonr * r9521 /trunk/Jmol/src/org/jmol/viewer/Jmol.properties: (log message trimmed)
23:51 CIA-33 jmol: version=11.5.43_dev # new feature: extended quaternion math
23:51 CIA-33 jmol: #
23:51 CIA-33 jmol: # q = quaternion({x y z}, angleDegrees)
23:51 CIA-33 jmol: # q = {qx, qy, qz, qw}
23:51 CIA-33 jmol: #
23:51 CIA-33 jmol: # returning component values:

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