"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "modules/pymol/preset.py" between
pymol-open-source-2.2.0.tar.gz and pymol-open-source-2.3.0.tar.gz

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

preset.py  (pymol-open-source-2.2.0)	:	preset.py  (pymol-open-source-2.3.0)
skipping to change at line 25		skipping to change at line 25
cmd = __import__("sys").modules["pymol.cmd"]		cmd = __import__("sys").modules["pymol.cmd"]
from . import util		from . import util
import traceback		import traceback
polar_contacts_suffix = "_pol_conts"		polar_contacts_suffix = "_pol_conts"
default_polar_contacts = "polar_contacts"		default_polar_contacts = "polar_contacts"
tmp_sele = "_p_tmp"		tmp_sele = "_p_tmp"
prot_and_dna_sele = "(resn ALA+CYS+CYX+ASP+GLU+PHE+GLY+HIS+HID+HIE+HIP+HISE+HISD +HISP+ILE+LYS+LEU+MET+MSE+ASN+PRO+GLN+ARG+SER+THR+VAL+TRP+TYR+A+C+T+G+U+DA+DC+DT +DG+DU+DI)"		prot_and_dna_sele = "(resn ALA+CYS+CYX+ASP+GLU+PHE+GLY+HIS+HID+HIE+HIP+HISE+HISD +HISP+ILE+LYS+LEU+MET+MSE+ASN+PRO+GLN+ARG+SER+THR+VAL+TRP+TYR+A+C+T+G+U+DA+DC+DT +DG+DU+DI)"
wat_sele = "(resn WAT,H2O,HOH,TIP)"		wat_sele = "solvent"
ion_sele = "(resn CA,HG,K,NA,ZN,MG,CL)"		ion_sele = "(resn CA,HG,K,NA,ZN,MG,CL)"
solv_sele = "("+wat_sele+"|"+ion_sele+")"		solv_sele = "("+wat_sele+"|"+ion_sele+")"
lig_excl = "(resn MSE)"		lig_excl = "(resn MSE)"
lig_sele = "((hetatm or not "+prot_and_dna_sele+") and not ("+solv_sele+"|"+ion_ sele+"|"+lig_excl+"))"		lig_sele = "((hetatm or not "+prot_and_dna_sele+") and not ("+solv_sele+"|"+ion_ sele+"|"+lig_excl+"))"
lig_and_solv_sele = "("+lig_sele+"|"+solv_sele+")"		lig_and_solv_sele = "("+lig_sele+"|"+solv_sele+")"
def get_sname_oname_dname(selection, _self=cmd):		def get_sname_oname_dname(selection, _self=cmd):
'''		'''
Get a named selection, object names and a distance (polar contacts) name		Get a named selection, object names and a distance (polar contacts) name
'''		'''
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1 lines changed or deleted		1 lines changed or added

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