def T4_Lysozyme_L99A_in_pdbid_181l(to_form='molsysmt.MolSys'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['T4_Lysozyme_L99A_in_pdbid_181l.msmpk'],
to_form=to_form)
return molsys
def pentalanine(to_form='molsysmt.MolSys'):
from molsysmt.demo import files
from molsysmt.multitool import convert
molsys = convert(
[files['pentalanine.prmtop'], files['pentalanine.inpcrd']],
to_form=to_form)
return molsys
def Ar_Xe_pbc_vacuum_traj(to_form='molsysmt.TrajectoryDict'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['Ar_Xe_pbc_vacuum.trjpk'], to_form=to_form)
return molsys
def particles_4_frames_3(to_form='XYZ'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['particles_4_frames_3.xyznpy'], to_form=to_form)
return molsys
def pentalanine_traj(to_form='molsysmt.MolSys'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['pentalanine_traj.msmpk'], to_form=to_form)
return molsys
def TcTIM_in_pdbid_1tcd(to_form='molsysmt.MolSys'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['TcTIM_in_pdbid_1tcd.msmpk'], to_form=to_form)
return molsys
def lysine_dipeptide_vacuum(to_form='molsysmt.MolSys'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['lysine_dipeptide_vacuum.msmpk'], to_form=to_form)
return molsys
def metenkephalin(to_form='molsysmt.MolSys'):
from molsysmt.demo import files
from molsysmt import convert
molsys = convert(files['metenkephalin.pdb'], to_form=to_form)
return molsys