Steric Feature

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Tripos Bookshelf > SLN > Specify 3D Queries > Define Ligand/Receptor Interaction Features

6.3.9 Steric Feature

Identifies an area where steric bulk exists. Represented by a sphere whose size is representative of the specified tolerance.

SLN Format

steric_feature[name=feature_name;target=target_spec;\
	 color=name_of_color]

name--Name for the steric feature.
target--Optional. Coordinates identifying steric feature's target location.
color--Optional. Color to use for the feature.

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Define Steric Feature in SYBYL

Define steric feature:

UNITY > Define Query > Manage

Select MACRO and STERIC_FEATURE as class and type, respectively.
Press Add.
Click atom/feature defining new feature.
Enter a name for new feature.
Specify if a spatial constraint should be created. If Yes, enter a tolerance and a color.

or UNITY > Features > Steric Feature

Specify molecular area containing the query.
Select method of defining the feature:
ENTER_TARGET--Enter coordinates for positive N.
PICK_FEATURE_OR_ATOM--Click feature/atom defining positive N.
POSITION_WITH_MOUSE--Click and drag steric feature to desired location.
Enter a name for steric feature.
Specify if a spatial constraint should be created. If Yes, enter a tolerance and a color.

Command:

DEFINE UNITY_FEATURE STERIC_FEATURE \ mol_area ENTER_TARGET|\ PICK_FEATURE_OR_ATOM name \ constraint [tolerance]

mol_area--Area containing the query.
ENTER_TARGET--Enter coordinates identifying steric feature's target location.
PICK_FEATURE_OR_ATOM--Click atom/feature defining steric feature.
constraint--Specify if a spatial constraint should be created. If YES, enter a tolerance and a color.

Define steric feature:	UNITY > Define Query > Manage Select MACRO and STERIC_FEATURE as class and type, respectively. Press Add. Click atom/feature defining new feature. Enter a name for new feature. Specify if a spatial constraint should be created. If Yes, enter a tolerance and a color.
	or UNITY > Features > Steric Feature Specify molecular area containing the query. Select method of defining the feature: ENTER_TARGET--Enter coordinates for positive N. PICK_FEATURE_OR_ATOM--Click feature/atom defining positive N. POSITION_WITH_MOUSE--Click and drag steric feature to desired location. Enter a name for steric feature. Specify if a spatial constraint should be created. If Yes, enter a tolerance and a color.
Command:	`DEFINE UNITY_FEATURE STERIC_FEATURE \` `mol_area ENTER_TARGET\|\` `PICK_FEATURE_OR_ATOM name \` `constraint [tolerance]` mol_area--Area containing the query. `ENTER_TARGET`--Enter coordinates identifying steric feature's target location. `PICK_FEATURE_OR_ATOM`--Click atom/feature defining steric feature. constraint--Specify if a spatial constraint should be created. If `YES`, enter a tolerance and a color.

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