Mercurial > repos > chemteam > ambertools_antechamber

annotate test-data/LigA_output.txt @ 4:ca57ded3ec32 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit a68f9fb01e0cfff122aef8ddce5c866c687a4f9a"
author chemteam
date Fri, 28 Feb 2020 03:47:52 -0500
parents c01897428864
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
1 Remark line goes here
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
2 MASS
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
3
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
4 BOND
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
5
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
6 ANGLE
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
7
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
8 DIHE
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
9
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
10 IMPROPER
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
11 c2-ha-c2-ha 1.1 180.0 2.0 Using the default value
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
12 c2-c2-c2-os 1.1 180.0 2.0 Using the default value
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
13 c2-o -c2-o 1.1 180.0 2.0 Using the default value
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
14 c2-c3-c2-ha 1.1 180.0 2.0 Using the default value
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
15 c2-c2-c2-c2 1.1 180.0 2.0 Using the default value
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
16 c2-c2-c2-ha 1.1 180.0 2.0 Using the default value
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
17
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
18 NONBON
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
19
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
20
c01897428864 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
21