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fdat2pdb fdat2pdb Author: Daniel Gschwend Converts a Cambridge Crystallographic Database FDAT file (as from a s…
development+manual 源代码
汇集 development+manual 相关的电路原理图、PCB工程文件、单片机/FPGA源代码、数据手册与应用设计方案。
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hbdata hbdata Author: Andy Good This program automatically runs Goodford's grid program (version 11.01, distrib…
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Sources Sources compiled by C.Corwin Available Chemicals Directory
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showsphere showsphere Authors: Stuart Oatley, Elaine Meng, Daniel Gschwend showsphere is an interactive progra…
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flex_drive.tbl flex_drive.tbl This file contains torsion positions assigned to each rotatable bond when the torsion_d…
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grid grid Author: Todd Ewing Based on work by Elaine Meng and Brian Shoichet
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flex.defn flex.defn This file contains labels and definitions for flexible bond identification. The drive_id fiel…
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Output Output dock reports several kinds of information as output which is either written to screen in interactive mode o…
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get_near_res get_near_res Author: Daniel Gschwend Given a ligand PDB file and a receptor PDB file, performs ei…
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Overview Overview grid creates the grid files necessary for rapid score evaluation in dock. Three types of scoring are a…