From: GitHub <no...@gi...> - 2017-03-21 16:01:08
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Branch: refs/heads/patch/cxsgroups Home: https://github.com/cdk/cdk Commit: 090f10e12c6196e8fdb04c255dd6dae121dd2aea https://github.com/cdk/cdk/commit/090f10e12c6196e8fdb04c255dd6dae121dd2aea Author: John May <jo...@ne...> Date: 2017-03-21 (Tue, 21 Mar 2017) Changed paths: M storage/io/src/main/java/org/openscience/cdk/io/MDLV2000Writer.java M storage/io/src/main/java/org/openscience/cdk/io/MDLV3000Writer.java Log Message: ----------- Write the SRU connectivity as uppercase. Commit: 69f1587314b9d0b138a4a425e3d2854045d1c3da https://github.com/cdk/cdk/commit/69f1587314b9d0b138a4a425e3d2854045d1c3da Author: John May <jo...@ne...> Date: 2017-03-21 (Tue, 21 Mar 2017) Changed paths: M storage/io/src/main/java/org/openscience/cdk/io/MDLV3000Writer.java Log Message: ----------- Correct Sgroup count in V3000 Commit: 89ce8c19de774e92ea3dbed3209a27fb757513af https://github.com/cdk/cdk/commit/89ce8c19de774e92ea3dbed3209a27fb757513af Author: John May <jo...@ne...> Date: 2017-03-21 (Tue, 21 Mar 2017) Changed paths: M storage/io/src/main/java/org/openscience/cdk/io/MDLV3000Writer.java Log Message: ----------- Use pseudo atom label. Commit: ef63bb2db40d3823cf0432943fa4a0b2682aa4fd https://github.com/cdk/cdk/commit/ef63bb2db40d3823cf0432943fa4a0b2682aa4fd Author: John May <jo...@ne...> Date: 2017-03-21 (Tue, 21 Mar 2017) Changed paths: M storage/io/src/main/java/org/openscience/cdk/io/MDLV3000Writer.java Log Message: ----------- Preserve R Group Numbers Compare: https://github.com/cdk/cdk/compare/090f10e12c61^...ef63bb2db40d |