Comments (2)
and plus, when i convert to pdbqt, the structure of ligand looks wired, like this below.
Do you know why this happened
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i figured out the problems, thanks, i will close this
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Related Issues (20)
- Flexible docking tutorial : no HD map file after autogrid4 HOT 1
- Differences between `*_rigid.pdbqt` and `*.pdbqt` files of receptors HOT 2
- Issue : An internal error occurred in ../../../src/lib/tree.h(101) HOT 3
- Problem in generation of some map files during flexible autodock docking. HOT 3
- Error on running prepare_flexreceptor.py for flexible docking HOT 8
- Charged ligands and receptors HOT 2
- FLexible Autodock HOT 1
- Method to capture receptor structure state after flexible docking HOT 7
- Virtual screening using Python bindings HOT 22
- Autodock Vina Scoring Functions HOT 3
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- Zn docking-Chelation issue HOT 9
- An internal error occurred in ../../../src/lib/tree.h(101) HOT 3
- Discrepancy Between Multi-Ligand Docking Score and Summed Individual Scores in AutoVina HOT 6
- Multiple-ligand docking pose PDBQT cannot be (re)scored HOT 1
- What kind of file is the Linux download? HOT 2
- ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects HOT 13
- `!pip install vina` failed in Google Colab, with a Linux Python 3 Google Compute Engine backend HOT 8
- ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects - MacOSx HOT 1
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