5 Simple Statements About PDFelement Explained
5 Simple Statements About PDFelement Explained
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Can PDB2PQR output develop a PQR file using forcefield-certain residue and atom names? Sure, utilizing the --ffout flag. Note that for patch-based mostly forcefields an individual residue might need various residue names. Furthermore, some forcefield residue names might have 4 letters in place of the standard three letters, yielding columns that merge together - if you are using the ensuing PQR file for APBS, this will greater than very likely lead to glitches.
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