3dmol
Version:
JavaScript/TypeScript molecular visualization library
171 lines (170 loc) • 3.79 kB
TypeScript
export declare const partialCharges: {
"ALA:N": number;
"ALA:CA": number;
"ALA:CB": number;
"ALA:C": number;
"ALA:O": number;
"ARG:N": number;
"ARG:CA": number;
"ARG:CB": number;
"ARG:CG": number;
"ARG:CD": number;
"ARG:NE": number;
"ARG:CZ": number;
"ARG:NH1": number;
"ARG:NH2": number;
"ARG:C": number;
"ARG:O": number;
"ASN:N": number;
"ASN:CA": number;
"ASN:CB": number;
"ASN:CG": number;
"ASN:OD1": number;
"ASN:ND2": number;
"ASN:C": number;
"ASN:O": number;
"ASP:N": number;
"ASP:CA": number;
"ASP:CB": number;
"ASP:CG": number;
"ASP:OD1": number;
"ASP:OD2": number;
"ASP:C": number;
"ASP:O": number;
"CYS:N": number;
"CYS:CA": number;
"CYS:CB": number;
"CYS:SG": number;
"CYS:C": number;
"CYS:O": number;
"GLN:N": number;
"GLN:CA": number;
"GLN:CB": number;
"GLN:CG": number;
"GLN:CD": number;
"GLN:OE1": number;
"GLN:NE2": number;
"GLN:C": number;
"GLN:O": number;
"GLU:N": number;
"GLU:CA": number;
"GLU:CB": number;
"GLU:CG": number;
"GLU:CD": number;
"GLU:OE1": number;
"GLU:OE2": number;
"GLU:C": number;
"GLU:O": number;
"GLY:N": number;
"GLY:CA": number;
"GLY:C": number;
"GLY:O": number;
"HIS:N": number;
"HIS:CA": number;
"HIS:CB": number;
"HIS:CG": number;
"HIS:ND1": number;
"HIS:CD2": number;
"HIS:NE2": number;
"HIS:CE1": number;
"HIS:C": number;
"HIS:O": number;
"ILE:N": number;
"ILE:CA": number;
"ILE:CB": number;
"ILE:CG2": number;
"ILE:CG1": number;
"ILE:CD": number;
"ILE:C": number;
"ILE:O": number;
"LEU:N": number;
"LEU:CA": number;
"LEU:CB": number;
"LEU:CG": number;
"LEU:CD1": number;
"LEU:CD2": number;
"LEU:C": number;
"LEU:O": number;
"LYS:N": number;
"LYS:CA": number;
"LYS:CB": number;
"LYS:CG": number;
"LYS:CD": number;
"LYS:CE": number;
"LYS:NZ": number;
"LYS:C": number;
"LYS:O": number;
"MET:N": number;
"MET:CA": number;
"MET:CB": number;
"MET:CG": number;
"MET:SD": number;
"MET:CE": number;
"MET:C": number;
"MET:O": number;
"PHE:N": number;
"PHE:CA": number;
"PHE:CB": number;
"PHE:CG": number;
"PHE:CD1": number;
"PHE:CD2": number;
"PHE:CE1": number;
"PHE:CE2": number;
"PHE:CZ": number;
"PHE:C": number;
"PHE:O": number;
"PRO:N": number;
"PRO:CD": number;
"PRO:CA": number;
"PRO:CB": number;
"PRO:CG": number;
"PRO:C": number;
"PRO:O": number;
"SER:N": number;
"SER:CA": number;
"SER:CB": number;
"SER:OG": number;
"SER:C": number;
"SER:O": number;
"THR:N": number;
"THR:CA": number;
"THR:CB": number;
"THR:OG1": number;
"THR:CG2": number;
"THR:C": number;
"THR:O": number;
"TRP:N": number;
"TRP:CA": number;
"TRP:CB": number;
"TRP:CG": number;
"TRP:CD2": number;
"TRP:CE2": number;
"TRP:CE3": number;
"TRP:CD1": number;
"TRP:NE1": number;
"TRP:CZ2": number;
"TRP:CZ3": number;
"TRP:CH2": number;
"TRP:C": number;
"TRP:O": number;
"TYR:N": number;
"TYR:CA": number;
"TYR:CB": number;
"TYR:CG": number;
"TYR:CD1": number;
"TYR:CE1": number;
"TYR:CD2": number;
"TYR:CE2": number;
"TYR:CZ": number;
"TYR:OH": number;
"TYR:C": number;
"TYR:O": number;
"VAL:N": number;
"VAL:CA": number;
"VAL:CB": number;
"VAL:CG1": number;
"VAL:CG2": number;
"VAL:C": number;
"VAL:O": number;
};
export declare function applyPartialCharges(atom: Record<string, any>, keepexisting: boolean): void;