CAUTION: Service is experimental.
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Upload new structure
Requirements and disclaimers:
- unit cell info must be present (e.g.
CRYST1 PDB record)
- coordinate file should contain only standard amino acids and nucleotides
- names of heavy atoms should comply with Amber conventions
- twinned data are not supported
Notes:
- ligands, if any, will be ignored
- alternate conformations, if any, will be ignored
- protons will be removed and then rebuilt
- crystallographic water molecules will be removed and then rebuilt
- residues, that are completely missing in the coordinate file, will be interpreted as chain separation
- residue names can be modified according to AMBER
convention to indicate non-standard protonation states
- experimental data are pre-processed with phenix.reflection_file_converter
- it is in principle possible that MD run will be aborted due to structural tensions