Data Item _ma_energy_estimates.energy_type
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General 
- Item name
- _ma_energy_estimates.energy_type
- Category name
- ma_energy_estimates
- Attribute name
- energy_type
- Required in PDB entries
- yes
- Used in current PDB entries
- No
Item Description
Identifies the type of energy estimate.
Data Type 
- Data type code
- line
- Data type detail
- char item types / multi-word items ...
- Primitive data type code
- char
- Regular expression
- [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Controlled Vocabulary
| Allowed Value | Details |
|---|---|
| binding free energy | free energy change upon binding to another molecular entity |
| conformational energy | energy associated with different conformations of a molecule |
| folding free energy | free energy difference between the unfolded and folded states of a biomolecule |
| interaction energy | non-bonded energy between two molecular entities |
| other | other energy described in details |
| potential energy | total energy of a system as determined by its molecular geometry |
| relative energy | energy difference between a given conformer and the global minimum (or reference structure) |
| solvation energy | energy difference between solvated and gas-phase states |
| strain energy | energy due to deviation from ideal geometry (torsional strain, steric clash) |
| transition state energy | energy required to reach the transition state from reactants |
Controlled Vocabulary at Deposition
| Allowed Value | Details |
|---|---|
| binding free energy | free energy change upon binding to another molecular entity |
| conformational energy | energy associated with different conformations of a molecule |
| folding free energy | free energy difference between the unfolded and folded states of a biomolecule |
| interaction energy | non-bonded energy between two molecular entities |
| other | other energy described in details |
| potential energy | total energy of a system as determined by its molecular geometry |
| relative energy | energy difference between a given conformer and the global minimum (or reference structure) |
| solvation energy | energy difference between solvated and gas-phase states |
| strain energy | energy due to deviation from ideal geometry (torsional strain, steric clash) |
| transition state energy | energy required to reach the transition state from reactants |