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#include "interfaces.hh"
#include "coot-utils/atom-selection-container.hh"
#include "ideal/pepflip.hh"
std::string flipPeptide(const std::string &pdb_file_name_in, const coot::residue_spec_t &rs,
const std::string &pdb_file_name_out) {
std::string s;
std::string alt_conf; // this should be an argument
bool use_gemmi = false;
atom_selection_container_t asc = get_atom_selection(pdb_file_name_in, use_gemmi);
int result = coot::pepflip(asc.mol, rs.chain_id, rs.res_no, rs.ins_code, alt_conf);
if (result != 0) {
asc.mol->WritePDBASCII(pdb_file_name_out.c_str());
s = pdb_file_name_out;
}
return s;
}
int flipPeptide_mmdb(mmdb::Manager *mol, const coot::residue_spec_t &rs, const std::string &alt_conf) {
int result = coot::pepflip(mol, rs.chain_id, rs.res_no, rs.ins_code, alt_conf);
return result;
}
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