Description Usage Value Author(s) Examples
IP database
1 |
Data frame:
Id |
Short id |
Name |
Name |
Set |
Convenience set groups |
Charge |
Total charge |
xM |
Num. of molecules |
adMass |
Mass to add |
adAt |
Atoms to add |
rmAt |
Atoms to remove |
David Enot david.enot@gustaveroussy.fr
1 |
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