Molecular modelers often work with complex data, and organizing this data efficiently can be challenging. Did you know SAMSON’s Node Specification Language (NSL) includes file attributes that can help streamline your workflow? These attributes allow you to filter and manipulate file nodes effectively, saving time and effort when dealing with molecular models.
What are File Attributes?
File attributes are part of the file attribute space (short name: fi) in NSL. They specifically target file nodes in your molecular design projects, and some of these attributes are inherited from the broader node attribute space. Let’s explore some key file attributes you can use:
1. name: Naming and Filtering
Accessible with the short name n, the name attribute allows you to manage file nodes by their names. For instance, you can:
- Find files named exactly “A” by using
fi.n "A". - Apply wildcard searches, such as
fi.n "L*", to locate files with names starting with the letter “L”.
Whether you need to deal with specific files or a group sharing similar naming patterns, this attribute keeps your project organized with minimal effort.
2. selected: Identifying Selected Files
The selected attribute is inherited from the broader node attribute space (but note it does not have the short name s). It allows you to filter for nodes that are selected or unselected:
- Find all selected file nodes with
fi.selected. - Exclude selected nodes by using
not fi.selected.
This is particularly useful when refining or exporting only a subset of your data.
3. selectionFlag: Flexibility in Selection
The selectionFlag, with its short name sf, provides another way to refine your selection process. For example:
- Filter file nodes with the selection flag set to
falseusingfi.sf false. - Quickly identify nodes with
fi.sf.
With selectionFlag, you gain an additional layer of control in your workflows when handling file nodes.
Why is This Useful for Molecular Modelers?
Imagine you’re managing a complex molecular project with dozens of files. You need to locate specific data or handle selected files for analysis. Instead of manually searching through a long list, you can use these file attributes to quickly filter your workspace. This makes prototyping, reviewing, and managing molecular models much more efficient.
To learn more about file attributes and how they can enhance your molecular modeling workflow, visit the official documentation page here: File Attributes Documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Gain access to this powerful molecular modeling platform by downloading it at SAMSON Connect.