Commits

History for

Commits on Nov 30, 2016

addressing requested changes re. throwing exceptions.
andreasprlic
committed
cc56288
Copy full SHA for cc56288
#610 switching test to junit version 4
andreasprlic
committed
e1dbb04
Copy full SHA for e1dbb04

Commits on Nov 29, 2016

creating local dir, if it does not exist.
andreasprlic
committed
1ce3e1e
Copy full SHA for 1ce3e1e
fix for #610
andreasprlic
committed
6f28672
Copy full SHA for 6f28672

Commits on Aug 18, 2016

making output less verbose
andreasprlic
committed
56e81e6
Copy full SHA for 56e81e6
setting default log level to warn
andreasprlic
committed
07f244a
Copy full SHA for 07f244a

Commits on Aug 8, 2016

new utility classes to detect if a Group is polymeric, an amino acid, or a nucleotide group.
andreasprlic
committed
46560c7
Copy full SHA for 46560c7

Commits on Jun 15, 2016

Merge branch 'bugfixes-4.2'
sbliven
committed
1206ace
Copy full SHA for 1206ace

Commits on Jun 14, 2016

merging in latest ptm modifications from master branch
pwrose
committed
8b08584
Copy full SHA for 8b08584
Updating ptm list.
pwrose
committed
3fa10a9
Copy full SHA for 3fa10a9
Added list of chromophores to ptm_list.xml file, updated unit tests
pwrose
committed
417e2da
Copy full SHA for 417e2da

Commits on Jun 10, 2016

merging in updated ptm_list.xml
andreasprlic
committed
de6d033
Copy full SHA for de6d033
merging in updated ptm_list.xml
andreasprlic
committed
80dc3a9
Copy full SHA for 80dc3a9
distance have to be looked up by element name, not atom name
andreasprlic
committed
2798876
Copy full SHA for 2798876
Adds a new definitions file so the code can correctly detect Metal bonds. Slightly more efficient representation of standard amino acids.
andreasprlic
committed
f8ac919
Copy full SHA for f8ac919
merging in fixes related to PTMs into bug fix branch
andreasprlic
committed
849001f
Copy full SHA for 849001f
update for 2VH3 TY2
andreasprlic
committed
58c6743
Copy full SHA for 58c6743
updating legacy chemical component and atom names to current naming conventions.
andreasprlic
committed
913d1ef
Copy full SHA for 913d1ef
distance have to be looked up by element name, not atom name
andreasprlic
committed
ad192d9
Copy full SHA for ad192d9

Commits on Jun 9, 2016

Adds a new definitions file so the code can correctly detect Metal bonds. Slightly more efficient representation of standard amino acids.
andreasprlic
committed
b39840a
Copy full SHA for b39840a

Commits on Jun 1, 2016

Allowing detection of PTMs that interact with Terbium, as reported by @epeisach . Also less verbose PTM junit test.
andreasprlic
committed
c561c3a
Copy full SHA for c561c3a

Commits on May 12, 2016

Merge pull request #479 from josemduarte/asymChainIds
Show description for aa37b02
andreasprlic
committed
aa37b02
Copy full SHA for aa37b02

Commits on May 11, 2016

Fixed modfinder tests
josemduarte
committed
8459e6f
Copy full SHA for 8459e6f

Commits on May 10, 2016

Added definition for PLP (pyridoxin-5'-phosphate) protein modification to xml file and added unit test.
pwrose
committed
e814b32
Copy full SHA for e814b32

Commits on Mar 10, 2016

Light cleanup:
Show description for 38fbae1
sbliven
committed
38fbae1
Copy full SHA for 38fbae1
Running spacestotabs on recent changes
Show description for 5074cb2
sbliven
committed
5074cb2
Copy full SHA for 5074cb2

Commits on Mar 9, 2016

Merge branch 'master' into removeLoadChemCompInfo
Show description for d1b5c48
josemduarte
committed
d1b5c48
Copy full SHA for d1b5c48
Converting initial spaces to tabs.
Show description for 2417c23
sbliven
committed
2417c23
Copy full SHA for 2417c23
Remove trailing whitespace globally from .java files
Show description for 809312e
sbliven
committed
809312e
Copy full SHA for 809312e

Commits on Mar 8, 2016

Removing loadChemCompInfo, some tests don't pass yet
josemduarte
committed
0a68908
Copy full SHA for 0a68908

Commits on Oct 6, 2015

Converting all line endings to Unix.
Show description for 124269e
sbliven
committed
124269e
Copy full SHA for 124269e

Commits on Jan 30, 2015

more updates of wrong resource paths
andreasprlic
committed
f21dec3
Copy full SHA for f21dec3
updating some hard coded paths
andreasprlic
committed
5f94ec7
Copy full SHA for 5f94ec7
Refactoring of all package names according to #245 #242 #240
andreasprlic
committed
28f55cb
Copy full SHA for 28f55cb

Commits on Jan 29, 2015

Ran Optimize Imports across the whole project.
andreasprlic
committed
ac22449
Copy full SHA for ac22449