For molecular modelers, efficiently managing and querying molecular structures can sometimes feel like navigating a maze. Understanding the property model attributes within SAMSON’s Node Specification Language (NSL) can make your workflow smoother and more intuitive. This blog post will walk you through the key attributes in the propertyModel attribute space, offering clarity and practical examples to address an important modeling question: how to effectively organize and query property model nodes.
What are Property Model Attributes?
The propertyModel attribute space in SAMSON is specifically designed to match property model nodes. These attributes allow users to identify and manage various properties of molecular nodes, such as visibility, material ownership, selection status, and more. Efficient use of these attributes helps you streamline your modeling tasks and improves the interpretability of complex molecular systems.
Key Attributes Overview
Here’s a summary of the essential attributes in the propertyModel space:
| Attribute Name | Short Name | Possible Values | Examples |
|---|---|---|---|
| hasMaterial | hm |
true, false |
pm.hm, not pm.hm |
| hidden | h |
true, false |
pm.h, not pm.h |
| name | n |
Strings in quotes | pm.n "A", pm.n "L*" |
| ownsMaterial | om |
true, false |
pm.om |
| selected | (None) | true, false |
pm.selected, not pm.selected |
| selectionFlag | sf |
true, false |
pm.sf false, pm.sf |
| visibilityFlag | vf |
true, false |
pm.vf false, pm.vf |
| visible | v |
true, false |
pm.v, not pm.v |
How Does This Help You?
These attributes allow you to focus on specific aspects of property model nodes when constructing queries. For instance, if you want to find all property model nodes that are visible and have material, you can use expressions like:
|
1 2 3 |
pm.v and pm.hm |
Need to filter out nodes that are hidden? Simple:
|
1 2 3 |
not pm.h |
Such queries can save substantial time in organizing and exploring molecular systems, making your modeling pipeline more accurate and efficient.
Learn More and Explore Examples
If you’re curious about delving deeper into each attribute and its applications, consult the full documentation page on property model attributes. There, you’ll find additional use cases and more advanced examples.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at SAMSON Connect.