atoms module¶

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Installation & Getting Started
argparser module
atoms module
calling_program module
cmd2nest module
cmd_extensions module
cmp_grp module
CNS-RSRef package (Real-space refinement within CNS).
Command interpreter
crystallography module
density module
documentation module
energy module
filter_summarize module
form_factor_table module
impact module
local_symmetry
map module
PaStO
- argparser module
- atoms module
- calling_program module
- cmd2nest module
- cmd_extensions module
- cmp_grp module
- crystallography module
- density module
- documentation module
- filter_summarize module
- form_factor_table module
- impact module
- map module
- numpyExt module
- optimize module
- qsort module
- restraints module
- rotamer module
- rotamer_chi_lib module
- rseval module
- rsref module
- sidechain module
- space_group module
- stereochemistry module
- superpose module
- symexp module
- symmetry module
- torsion module
- transform module
- translate module
- tskmgr module
- vector module
- version module
numpyExt module
optimize module
Parameterize:
PhiPsi_restraints (CNS; backbone torsion angle).
qsort module
restraints module
rotamer module
rotamer_chi_lib module
rseval module
rsref module
RSRef Real space refinement: atomic structure vs. map
Atom selections and groups
sidechain module
space_group module
stereochemistry module
superpose module
Superpose: Rigid-group / Flexible Structure Overlay
symexp module
SymExp: Symmetry expansion of molecular coordinates
symmetry module
torsion module
transform module
translate module
tskmgr module
vector module
version module

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PaStO 1.1.0 documentation »
atoms module