Mercurial > repos > recetox > qcxms_production_run
directory /test-data/ @ 2:b566b27247f7 draft
name | size | permissions |
---|---|---|
[up] | drwxr-xr-x | |
res_files/ | drwxr-xr-x | |
TMP.1_qcxms_in.txt | 121 | -rw-r--r-- |
TMP.1_qcxms_start.txt | 585 | -rw-r--r-- |
TMP.1_start_xyz.txt | 475 | -rw-r--r-- |
mol.xyz | 965 | -rw-r--r-- |
output.msp | 1598 | -rw-r--r-- |
res_out.txt | 124 | -rw-r--r-- |