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trunk/ 1619 (7 years ago) by jmduarteg: Fixed bug in ASA calculation: was taking in finding neighbours procedure the default vdw element radius rather thatn the one set in setRadius: NOTE this changes slightly the area values we are getting. Fixed issue in parsing of atoms when no atom type can be guessed: now whenever we can't guess we write a warning, also setRadius will use default radius if element not known (instead of null pointing)
tags/ 1600 (7 years ago) by jmduarteg: Tagging for eppic release 1.9.6. - totally redone interface calculation: huge improvements in runtime and memory usage, explores also 2nd neighbours, uses symmetry-redundancy elimination, bugs fixed - introduced minimum ASA threshold for considering residue at surface - cofactors can now be used for ASA calculation in interfaces - blast runner now chooses matrix to use based on sequence length as it is standard use in blast servers - introduced blast+ support - introduced clustalo support in HomologsList - improvements and important fixes in HomologsList alignments
branches/ 1438 (9 years ago) by jmduarteg: An ant script for owl!
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