github.com/OpenMS/OpenMS commits | Ecosyste.ms: OpenCollective

Fixed linux compilation

4a635452de4c982f198ea957fcc9d7678931413f authored over 3 years ago by Bertrand Boudaud <[email protected]>

[FIX] Modify check in addModificationsSequences_ add debug log message

bd1e98cc8fb18fba0e62f0e696aed9f8d95876bc authored over 3 years ago by Justin Sing <[email protected]>

[UPDATE] Update AUTHORS and CHANGELOG files

0aee42d16c4119b8315893232934c9744225c0a3 authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X) or for specificity of current assessed residue

5090ab126549dbcfb2600139f284c7f2440b2fa2 authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X) or for specificity of current assessed residue

3e6e9e0b3b29c4460136c73d064b8fa9612dcb0a authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X) or for specificity of current assessed residue

f5fd24bebed203ec3320cdebbc73f705c00bb0c6 authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X) or for specificity of current assessed residue

2856fe62157a89e23d33778fddef9b5527652995 authored over 3 years ago by Justin Sing <[email protected]>

Merge branch 'develop' into feature/TargetedSpectraExtractor_storeSpectra_for_pr

d2e7d834f95d7ba7763f519d41695059b807a418 authored over 3 years ago by Bertrand Boudaud <[email protected]>

removed empty line

4067b4d955019b0693c78184ad06fb7c68105c61 authored over 3 years ago by Bertrand Boudaud <[email protected]>

simplifies mergeFeatures

ab7e38eb8db161bca5a6c04caf44a712d7e6b470 authored over 3 years ago by Bertrand Boudaud <[email protected]>

simplified storeSpectraMSP

971906bdac5e2e673ae1d85aa01e8193bbc15e87 authored over 3 years ago by Bertrand Boudaud <[email protected]>

simplified storeSpectraMSP

356f73ce346908f1c68646e7f4b09dd08c38c60d authored over 3 years ago by Bertrand Boudaud <[email protected]>

Fixed codefactor-io reported issues

7a6583747520b420dec0c1822d019fcefb2553f2 authored over 3 years ago by Bertrand Boudaud <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X)

da4e0077d66d7c97a015eb2ab5f7c9000ae4ea71 authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X)

dba538842108c8fdfcf489492086b2e896272a1f authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Modify check in addModificationsSequences_ to allow cases of no restriction of specificty (i.e. X)

46a3a9a5ecb5ae7929dff091fe9682bc4d57c123 authored over 3 years ago by Justin Sing <[email protected]>

[FIX] Add a check in addModificationsSequences_ to ensure C/N Terminal modification can only be added to correct residue based on modification database

996802609dc502e6deb24e59985d1bf7a394b53b authored over 3 years ago by Justin Sing <[email protected]>

Merge pull request #5326 from vmusch/maxQuant

export MaxQuant Evidence File

dd7a23fee72808a585a964e966d1f50aa7cebe31 authored over 3 years ago by Chris Bielow <[email protected]>

[FEATURE ]Additional features in SimpleSearchEngine (#5325)

* Additional features in SimpleSearchEngine

* add missing constants

* update test file

...

3e70dd0b4bac7982df96d4e8d80477d8e19d8f69 authored over 3 years ago by Timo Sachsenberg <[email protected]>

refactor comment

2d542fc811867668958995612a921464550d8e3a authored over 3 years ago by Vincent Musch <[email protected]>

delete some whitespaces

9da2ca67162c51065898e087819bd9e8e3d38a08 authored over 3 years ago by Vincent Musch <[email protected]>

Merge pull request #5324 from OpenMS/feature/move_mpg

[REFACTOR] moved modified peptide generator to chemistry folder

4142f13999923b5770b06941029890094da0e761 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into seq-align

507f5f3fc98be4d19fae25fc382daf834a396323 authored over 3 years ago by Timo Sachsenberg <[email protected]>

[UPDATE] to SIRIUS 4.8.2 (#5338)

* [ADD] THIRDPARTY master (SIRIUS 4.8.2); [UPDATE] Version and Tests

d601404fe917d1b2db74c8e1a9a3aab2d20baed7 authored over 3 years ago by Oliver Alka <[email protected]>

Bugfix MSFragger engine (#5344)

* Bugfix MSFragger engine

* Update PosteriorErrorProbabilityModel.cpp

Co-authored-by: Timo...

27a7599acd5d3f90e3c84ce5bc66c348b2d31345 authored over 3 years ago by tillenglert <[email protected]>

default constructor etc

8067f51c5c7df6a8aae0cae6bffe46b133fbc49c authored over 3 years ago by Nora Wild <[email protected]>

Merge pull request #5343 from tillenglert/feature/MSFragger

Include MSFragger engine in the PEPModel

9d6604119ff8f8379e584ba47b02c43b8f23a50e authored over 3 years ago by Julianus Pfeuffer <[email protected]>

PEPModel include MSFragger engine

095a3537d6704b01973693f73a1004cf39807911 authored over 3 years ago by tillenglert <[email protected]>

docu

28bb4570bcd0d4912a7f73fbd422f583e70961f9 authored over 3 years ago by Nora Wild <[email protected]>

Merge branch 'fix/hendrik_idfile_integration' of https://github.com/OpenMS/OpenMS into fix/hendrik_idfile_integration

ab3acd615b733851e44f5faa8fdd69a869ff1680 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Danke für das nette Praktikum

1d1c9f152ce096593bdddfba17869b9d1dfc5059 authored over 3 years ago by Vincent Musch <[email protected]>

Added CHANGELOG entry

a0fff4465f9d0d13235239b78cee55754648f069 authored over 3 years ago by Bertrand Boudaud <[email protected]>

TargetedSpectraExtractor: cleaning

12a8abc022b626077f3c2cb032a502bd38a84835 authored over 3 years ago by Bertrand Boudaud <[email protected]>

updated pxd

902601b4bcec7863c9f4ee0225908afadd12f441 authored over 3 years ago by Bertrand Boudaud <[email protected]>

unit test for searchSpectrum

3b3ccad7140744bfc72c85e72842576c24c238db authored over 3 years ago by Bertrand Boudaud <[email protected]>

unit test for storeSpectraMSP

150c35813556407de0c65d3f139c1974a2d347a8 authored over 3 years ago by Bertrand Boudaud <[email protected]>

more review comments

b8a44e8d471f7d96d732579128975dd2243db125 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Apply suggestions from code review

Co-authored-by: Timo Sachsenberg <[email protected]>

12edbbc767a0ed07f3864837748b64f12efc27fd authored over 3 years ago by Julianus Pfeuffer <[email protected]>

unit test for storeSpectraTraML

a85082b55da198f930d57491babe24f2baa2c16f authored over 3 years ago by Bertrand Boudaud <[email protected]>

unit test for annotateSpectra

55209ba7b7def57b2cae036726b9728714ba5033 authored over 3 years ago by Bertrand Boudaud <[email protected]>

unit test for mergeFeatures

f90881852964c66aaa4491d50a99896eb5cbc19e authored over 3 years ago by Bertrand Boudaud <[email protected]>

changed Test_file_equal to similar

44cad96f21c2725c908fd9fbe84b9119f8a27a31 authored over 3 years ago by Vincent Musch <[email protected]>

Forgot to register ObsMatches. Adapted tests.

54d3da67852c0f573981e1390432a47d3a856cf4 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

MQEvidence_test gefixed vo.2

dff4eb533193da597cdd08aa7f539a65e7fc7d68 authored over 3 years ago by Vincent Musch <[email protected]>

MQEvidence_test gefixed

5e9508dffd72f9ae2dbf90dc2d242bfb7961ca0a authored over 3 years ago by Vincent Musch <[email protected]>

getMatrix()

da20bc32446a895da938321edad3511e7c808c4f authored over 3 years ago by Nora Wild <[email protected]>

Einrückung und Doku folgt noch

e96b2c78bdfac19062e9ac1c889d931885e43fd3 authored over 3 years ago by Nora Wild <[email protected]>

removed useless parameters

c4f6575286c5ac730439dbe13a531d24465bd044 authored over 3 years ago by Bertrand Boudaud <[email protected]>

Implementation of annotateSpectra, searchSpectrum, mergeFeatures, storeSpectraTraML and storeSpectraMSP

271c66a9696e428a544e9217be2d3620dd83bf42 authored over 3 years ago by Bertrand Boudaud <[email protected]>

Merge pull request #5321 from OpenMS/py_nightly_test

[test] pyopenms nightly actions

d175779572395bb7860dfb48ba3aececcbf6eedb authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[Fix] Prevent crash when TOPP tool/util executable cannot be found (#5335)

* [fix] Stop TVToolDiscovery from crashing when a tool/util executable cannot be found

* Upda...

a811da6dacd0a55c5324a0d5bcda4efd1b085a70 authored over 3 years ago by David Voigt <[email protected]>

remove cp code

d5e69a83316fe58e62b82877fac7c630ad53b8d8 authored over 3 years ago by oliveralka <[email protected]>

committing before changing branches

c8e6d5fe548f716dc1b5ae01dd7ee657b7be0309 authored over 3 years ago by Nora Wild <[email protected]>

set matrix

5f55b0b63ce67d31a5a254d89876060daf51a36a authored over 3 years ago by Nora Wild <[email protected]>

QC test fix

70962dde734a76bd001fcb55a065512b0ed85efd authored over 3 years ago by Vincent Musch <[email protected]>

testdateien

a9b0e4baeb03e34e6c0c0f8a78c394ac4fa90314 authored over 3 years ago by Vincent Musch <[email protected]>

clean up, set cmake win,mac,lnx

66167b65ba353e378c59d098fe2dd85fc5034b30 authored over 3 years ago by oliveralka <[email protected]>

leer taste hinzugefügt

c61b95ffd68e84ecf7a820c7b5b439bcdbb1a874 authored over 3 years ago by Vincent Musch <[email protected]>

reset path each iteration

4cc263277052a29ef10f0f7151d4686cbdf34db0 authored over 3 years ago by oliveralka <[email protected]>

check paths

3b1e642150ca1bda70e4250c4c85df2e36cb8269 authored over 3 years ago by oliveralka <[email protected]>

coding style

c47934b17442a7882330a2ecd3287e416ebb2b96 authored over 3 years ago by Vincent Musch <[email protected]>

Overlap removing bug fixed (last mass ignored before) + topFD output per charge in peakgroup

5f92159bb4a7407debbe9c243bd6a77f48a9cc55 authored over 3 years ago by kyowonjeong <[email protected]>

Merge

0e44f3e410c4107a62cbc21f8a9b3d7a8ed4b673 authored over 3 years ago by valentin-noske <[email protected]>

Changed UInt64 to Size

5012981415b6b80eac8f121ca318a66b55d30f4e authored over 3 years ago by valentin-noske <[email protected]>

several little changes vol.2

7d44a38427d4918f6fbc88b7d8d53dc4cd1b211a authored over 3 years ago by Vincent Musch <[email protected]>

severel little changes

9baa2c9a790284270f07d6e380137fcb73762fbc authored over 3 years ago by Vincent Musch <[email protected]>

FIX path

d8934524f0b44fcf573db84cec97b450b7d53f32 authored over 3 years ago by oliveralka <[email protected]>

test

166f796fdb21ce23370a33d043123dbd52944ec8 authored over 3 years ago by oliveralka <[email protected]>

Merge branch 'py_nightly_test' of https://github.com/OpenMS/OpenMS into py_nightly_test

ada8128e1c814bfe4040ef650056f7d1602c2744 authored over 3 years ago by oliveralka <[email protected]>

test cmake then path

72a62c4e03eb9c8f8ddc3dc8d6c4856790d452cc authored over 3 years ago by oliveralka <[email protected]>

try reduce path further

50333a61f68a63cbaccf6fc5d0e83a80f87fec8c authored over 3 years ago by oliveralka <[email protected]>

comments and refactoring

5d3a06a97fd1529728ca76296a769a9ddd1cb26a authored over 3 years ago by valentin-noske <[email protected]>

finaly?

08416b78935ee2eab7c9630af21978801e6b197a authored over 3 years ago by Vincent Musch <[email protected]>

seqalign

3084b220493cdd852f4cb728dc3510197ae674b2 authored over 3 years ago by Nora Wild <[email protected]>

Modified test and formatting

828258b1f865adf23db2ac80ee11637ff9c3a3fc authored over 3 years ago by valentin-noske <[email protected]>

[REFACTOR] moved modified peptide generator to chemistry folder

ed25f68f1c774abc37dabc32a054911f63ebf1ca authored over 3 years ago by Timo Sachsenberg <[email protected]>

rm choco install build tools

2502feea28585c882ac0f2276b8801dd7809901b authored over 3 years ago by oliveralka <[email protected]>

install build tools

637d6908f433c2a14e9372603c2114f665a70fa2 authored over 3 years ago by oliveralka <[email protected]>

merge with upstream

3857cca799c123b89d1d2c4b888ba3eeb1e5f088 authored over 3 years ago by Vincent Musch <[email protected]>

export umbenannt

66ba0a3abb0702719e46e13cd36caa742e05d684 authored over 3 years ago by Vincent Musch <[email protected]>

add reverse

410a680f2b9b3e34a98f2cb474871328e21fee6d authored over 3 years ago by Vincent Musch <[email protected]>

Merge branch 'SeqAlignNew' of https://github.com/kasrat93/OpenMS into seq-align

e332e0a10583a1d45eb792c4891f736c806cb3a2 authored over 3 years ago by Nora Wild <[email protected]>

executables.cmake

5ab8334328b2a5c5d75d65ea120a7afa22ee470b authored over 3 years ago by Nora Wild <[email protected]>

Added coments to PeptideIdentification

97a5e8991a0406ba8341fc0955f4d041ddd6e798 authored over 3 years ago by valentin-noske <[email protected]>

test

e6e5c6f70217a772eaa7c1544e3c514d59b4f85c authored over 3 years ago by oliveralka <[email protected]>

Replace getIndex() && insert final Matrices[26][26]

c09a0524d5149239c33d275ea5fdb898fa53578e authored over 3 years ago by kasrat93 <[email protected]>

Merge pull request #5200 from poshul/RNA_enzymes

[feature] added more RNA digestion enzymes

efcd5afc74e10d103a1e7b6bde40f9fd93330375 authored over 3 years ago by Samuel Wein <[email protected]>

Merge branch 'maxQuant' of https://github.com/vmusch/OpenMS into maxQuant

581e5b041fe67831fbd7139abc9fdac886a3411d authored over 3 years ago by valentin-noske <[email protected]>

Modified test and comments

b1d6987ab8d2c0d34a94ee67374a4cfebc4f813a authored over 3 years ago by valentin-noske <[email protected]>

PeptideIdentification test finish

9f21b62009ea78a4415fd3cd7d4be8e291c820c8 authored over 3 years ago by Vincent Musch <[email protected]>

fillConsensusPepIDMap test fertig

a79f20b277a2bd0a9b29c039fe35ce279e1ef4e3 authored over 3 years ago by Vincent Musch <[email protected]>

Update README.md

e07904a8c569a265f859b8f8f41bc836ce3fcbe6 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Rscript

ac094144b4b195db2478be251d386690f8407655 authored over 3 years ago by Vincent Musch <[email protected]>

Rscript

51604a1966bde6f9e4bc1dfe9533463ad2b5de47 authored over 3 years ago by Vincent Musch <[email protected]>

Merge branch 'seq-align' of https://github.com/noraw61/OpenMS into SeqAlignNew

ec37a2c5016dbb2046da303e07184a396d3f917c authored over 3 years ago by kasrat93 <[email protected]>

set C++17 compile arg win

3d50a16321bb53a34fcab4c457eae3f2125a10f0 authored over 3 years ago by oliveralka <[email protected]>

positive penalty and updatemembers_()

7fc9be655891aa404eaaa2daac4a3c4e19f20a0a authored over 3 years ago by Nora Wild <[email protected]>

set C++17 compile arg win/mac

5430bd065f6aec48f3e25db427dec5aad4c67bd3 authored over 3 years ago by oliveralka <[email protected]>

Merge branch 'RNA_enzymes' of https://github.com/poshul/OpenMS into RNA_enzymes

c3dc3567ce434ade7121e51eb311b0b1ae1ae3eb authored over 3 years ago by Samuel Wein <[email protected]>

Code cleanup and comments

96faf3a89a71dd07f697aa7517d12485d43d79ad authored over 3 years ago by Samuel Wein <[email protected]>