[Dock-fans] convert selected_clusters.pdb to selected_clusters.sph

andrew_m_norris at talk21.com andrew_m_norris at talk21.com
Wed Oct 6 05:35:04 PDT 2010


Hi dock-fans
 I would like to select the clusters to be used in grid from showsphere i.e the largest ranked cluster in protein_clusters.sph (sphgen output) however the output from this is in pdb format. I need a top_rank_sphere.sph file as input for grid. 
Is there any way to convert the top_ranked_cluster.pdb file from showspheres into top_ranked_cluster.sph or do i need to edit the protein_clusters.sph file generated in sphgen in some way. If this is the case could  someone suggest a way to go about it?


      
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