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How to fill out the Ligprep online
Ligprep is a powerful tool for preparing high-quality 3D structures from 2D or 3D formats. This guide offers comprehensive step-by-step instructions to assist users in accurately completing the Ligprep form online, ensuring a smooth experience for both novice and experienced users.
Follow the steps to fill out the Ligprep form effectively.
- Click the ‘Get Form’ button to access the form and open it in your editing interface.
- Select the source for input structures. You may choose from workspace files, specific project table entries, or upload from a file. Ensure that the preferences align with your project needs.
- Choose the output format for the processed structures, which can be either Maestro or SD format.
- Set your desired filtering criteria by selecting appropriate descriptors. This helps in eliminating unwanted structures from the output.
- Select a force field from the options provided. This choice influences the energy minimization step during the processing.
- Specify the stereoisomer options. Users can determine how chiralities will be handled in the structures.
- Adjust ionization state options if required, deciding whether to neutralize, retain the original state, or generate possible states based on pH.
- If applicable, add conditions for removing cofactors, along with selecting the desired treatment for hydrogen and tautomer generation.
- Once all sections are completed, review the selections for accuracy and click 'Start' to submit the job for processing.
- Monitor the job status in the provided interface and retrieve your output files when processing is complete.
Begin your Ligprep document submission online today to streamline your molecular preparation process.
The timeline for Softex filing can vary based on the specific requirements and processing times of the authorities. Generally, it takes a few days to ensure all documents are submitted correctly. Ligprep helps you track your submission and keep an eye on deadlines, which reduces your stress. Staying proactive can lead to quicker approvals.
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