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+ | #REDIRECT [[Selection Algebra]] | ||
+ | |||
== Single-word Selectors == | == Single-word Selectors == | ||
− | The very simplest ''selection-expressions'' are single-word selectors. These selectors do not take identifiers; they are complete by themselves. | + | The very simplest ''selection-expressions'' are single-word selectors. These selectors do not take identifiers; they are complete by themselves. Below are some commonly used single-word selectors. |
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+ | {| class="wikitable" | ||
+ | |- | ||
+ | ! Single-Word Selector | ||
+ | ! Short-Form Selector | ||
+ | ! Description | ||
+ | |- | ||
+ | | all | ||
+ | | * | ||
+ | | All atoms currently loaded into PyMOL | ||
+ | |- | ||
+ | | none | ||
+ | | none | ||
+ | | No atoms (empty selection) | ||
+ | |- | ||
+ | | hydro | ||
+ | | h. | ||
+ | | All hydrogen atoms currently loaded into PyMOL | ||
+ | |- | ||
+ | | hetatm | ||
+ | | het | ||
+ | | All atoms loaded from Protein Data Bank HETATM records | ||
+ | |- | ||
+ | | visible | ||
+ | | v. | ||
+ | | All atoms in enabled objects with at least one visible representation | ||
+ | |- | ||
+ | | polymer | ||
+ | | pol. | ||
+ | | All atoms on the polymer (not het). | ||
+ | |- | ||
+ | | backbone | ||
+ | | bb. | ||
+ | | Polymer backbone atoms ''(new in PyMOL 1.6.1)'' | ||
+ | |- | ||
+ | | sidechain | ||
+ | | sc. | ||
+ | | Polymer non-backbone atoms ''(new in PyMOL 1.6.1)'' | ||
+ | |- | ||
+ | | present | ||
+ | | pr. | ||
+ | | All atoms with defined coordinates in the current state (used in creating movies) | ||
+ | |- | ||
+ | | center | ||
+ | | | ||
+ | | Pseudo-atom at the center of the scene | ||
+ | |- | ||
+ | | origin | ||
+ | | | ||
+ | | Pseudo-atom at the origin of rotation | ||
+ | |} | ||
The selector '''none''' won't come up much when you are typing commands directly into PyMOL, but it is useful in programming scripts. | The selector '''none''' won't come up much when you are typing commands directly into PyMOL, but it is useful in programming scripts. | ||
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As the table shows, many single-word selectors have short forms to save on typing. Some short forms must be followed by a period and a space, in order to delimit the word. Short forms and long forms have the same effect, so choose the form that suits you. | As the table shows, many single-word selectors have short forms to save on typing. Some short forms must be followed by a period and a space, in order to delimit the word. Short forms and long forms have the same effect, so choose the form that suits you. | ||
− | < | + | <source lang="python"> |
− | + | PyMOL> color blue, all # It all turns blue. | |
− | + | PyMOL> color blue, * | |
− | + | PyMOL> hide hydro # Representations of all | |
− | + | PyMOL> hide h. # hydrogen atoms are hidden. | |
− | + | PyMOL> show spheres, hetatom # All the atoms defined as HETATOMS | |
− | + | PyMOL> show spheres, het # in the PDB input file | |
# are represented as spheres. | # are represented as spheres. | ||
− | </ | + | </source> |
+ | |||
+ | == More selectors == | ||
+ | {| class="wikitable" | ||
+ | |- | ||
+ | ! Single-Word Selector | ||
+ | ! Short-Form Selector | ||
+ | ! Description | ||
+ | |- | ||
+ | | enabled | ||
+ | | | ||
+ | | All enabled objects or selections from the object list. | ||
+ | |- | ||
+ | | masked | ||
+ | | msk. | ||
+ | | All masked atoms. | ||
+ | |- | ||
+ | | protected | ||
+ | | pr. | ||
+ | | All protected atoms. | ||
+ | |- | ||
+ | | bonded | ||
+ | | | ||
+ | | All bonded atoms | ||
+ | |- | ||
+ | | donors | ||
+ | | don. | ||
+ | | All hydrogen bond donor atoms. | ||
+ | |- | ||
+ | | acceptors | ||
+ | | acc. | ||
+ | | All hydrogen bond acceptor atoms. | ||
+ | |- | ||
+ | | fixed | ||
+ | | fxd. | ||
+ | | All fixed atoms. | ||
+ | |- | ||
+ | | restrained | ||
+ | | rst. | ||
+ | | All restrained atoms. | ||
+ | |- | ||
+ | | organic | ||
+ | | org. | ||
+ | | All atoms in non-polymer organic compounds (e.g. ligands, buffers). | ||
+ | |- | ||
+ | | inorganic | ||
+ | | ino. | ||
+ | | All non-polymer inorganic atoms/ions. | ||
+ | |- | ||
+ | | solvent | ||
+ | | sol. | ||
+ | | All water molecules. | ||
+ | |- | ||
+ | | guide | ||
+ | | | ||
+ | | All protein CA and nucleic acid C4*/C4' | ||
+ | |- | ||
+ | | metals | ||
+ | | | ||
+ | | All metal atoms ''(new in PyMOL 1.6.1)'' | ||
+ | |} | ||
[[Category:Selector Quick Reference]] | [[Category:Selector Quick Reference]] | ||
− | [[ | + | [[Category:Selecting|Single Word Selectors]] |
+ | [[Category:States]] |
Latest revision as of 04:50, 11 December 2017
Redirect to:
Single-word Selectors
The very simplest selection-expressions are single-word selectors. These selectors do not take identifiers; they are complete by themselves. Below are some commonly used single-word selectors.
Single-Word Selector | Short-Form Selector | Description |
---|---|---|
all | * | All atoms currently loaded into PyMOL |
none | none | No atoms (empty selection) |
hydro | h. | All hydrogen atoms currently loaded into PyMOL |
hetatm | het | All atoms loaded from Protein Data Bank HETATM records |
visible | v. | All atoms in enabled objects with at least one visible representation |
polymer | pol. | All atoms on the polymer (not het). |
backbone | bb. | Polymer backbone atoms (new in PyMOL 1.6.1) |
sidechain | sc. | Polymer non-backbone atoms (new in PyMOL 1.6.1) |
present | pr. | All atoms with defined coordinates in the current state (used in creating movies) |
center | Pseudo-atom at the center of the scene | |
origin | Pseudo-atom at the origin of rotation |
The selector none won't come up much when you are typing commands directly into PyMOL, but it is useful in programming scripts.
As the table shows, many single-word selectors have short forms to save on typing. Some short forms must be followed by a period and a space, in order to delimit the word. Short forms and long forms have the same effect, so choose the form that suits you.
PyMOL> color blue, all # It all turns blue.
PyMOL> color blue, *
PyMOL> hide hydro # Representations of all
PyMOL> hide h. # hydrogen atoms are hidden.
PyMOL> show spheres, hetatom # All the atoms defined as HETATOMS
PyMOL> show spheres, het # in the PDB input file
# are represented as spheres.
More selectors
Single-Word Selector | Short-Form Selector | Description |
---|---|---|
enabled | All enabled objects or selections from the object list. | |
masked | msk. | All masked atoms. |
protected | pr. | All protected atoms. |
bonded | All bonded atoms | |
donors | don. | All hydrogen bond donor atoms. |
acceptors | acc. | All hydrogen bond acceptor atoms. |
fixed | fxd. | All fixed atoms. |
restrained | rst. | All restrained atoms. |
organic | org. | All atoms in non-polymer organic compounds (e.g. ligands, buffers). |
inorganic | ino. | All non-polymer inorganic atoms/ions. |
solvent | sol. | All water molecules. |
guide | All protein CA and nucleic acid C4*/C4' | |
metals | All metal atoms (new in PyMOL 1.6.1) |