Probe GridMap Builder
Developed by Dr. Sean's Team of Drug Design and Discovery
Upload Trajectory File (.trr/.nc/.xtc):
Upload
Upload Protein File (.pdb):
Upload
Select Protein File:
{% for f in pdb_files %}
{{ f }}
{% endfor %}
Select Trajectory File:
{% for f in trr_files %}
{{ f }}
{% endfor %}
Select Probe Atoms:
Acetonitrile (ACN)
Isopropanol (IPA)
Phenol (PHN)
N-Methylacetamide (NMA)
Pyrimidine (PYR)
Formamide (FMA)
Dimethyl Sulfoxide (DMS)
Methanol (MEH)
Guanidinium (GUA)
Acetate (ACE)
Benzene (BNZ)
Toluene (TOL)
Indole (IND)
Custom
Custom Atoms (only if 'custom' selected):
Detected non-standard components:
Grid Spacing (dx):
Normalize Frame Count:
Max Cutoff Distance:
Run GridMap Builder