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main/java/org/biojava/nbio/structure
test/java/org/biojava/nbio/structure Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -267,7 +267,9 @@ <li> atomserial (mandatory) : Atom serial number</li>
267267 * Return the connections value.
268268 * @return a List object representing the connections value
269269 * @see #setConnections
270+ * @deprecated use {@link Atom#getBonds()} instead
270271 */
272+ @ Deprecated
271273 public List <Map <String ,Integer >> getConnections ();
272274
273275 /**
Original file line number Diff line number Diff line change @@ -67,12 +67,6 @@ public class FileParsingParameters implements Serializable
6767 */
6868 boolean alignSeqRes ;
6969
70-
71- /** Should we create connections instead of bonds for ligands?
72- *
73- */
74- boolean createConects ;
75-
7670 /** Flag to control if the chemical component info should be downloaded while parsing the files. (files will be cached).
7771 *
7872 */
@@ -158,8 +152,6 @@ public void setDefault(){
158152 parseBioAssembly = false ;
159153
160154 createAtomBonds = false ;
161-
162- createConects = false ;
163155
164156 createAtomCharges = true ;
165157
@@ -412,24 +404,6 @@ public void setCreateAtomCharges(boolean createAtomCharges) {
412404 this .createAtomCharges = createAtomCharges ;
413405 }
414406
415- /**Should we create Bonds for ligands when parsing an mmCIF file?
416- *
417- * @return true if we should create bonds based on ChemComp information.
418- */
419- public boolean isCreateLigandConects (){
420- return createConects ;
421- }
422-
423- /**Should we create connections between atoms in ligands when parsing
424- * a file? Setting this to true must also set AlignSeqRes true.
425- *
426- * @param createLigandConects boolean flag yes/no
427- */
428- public void setCreateLigandConects (boolean createLigandConects ){
429- this .createConects = createLigandConects ;
430- this .alignSeqRes = true ;
431- }
432-
433407 public boolean isUseInternalChainId () {
434408 return useInternalChainId ;
435409 }
Load diff This file was deleted.
Original file line number Diff line number Diff line change @@ -2758,10 +2758,6 @@ else if ( params.isParseSecStruc()) {
27582758 if ( params .shouldCreateAtomCharges ()) {
27592759 addCharges ();
27602760 }
2761-
2762- if (params .isCreateLigandConects ()){
2763- addLigandConnections ();
2764- }
27652761
27662762 if ( params .isParseSecStruc () && !params .isHeaderOnly ())
27672763 setSecStruc ();
@@ -2831,12 +2827,6 @@ private void formBonds() {
28312827 maker .makeBonds ();
28322828 }
28332829
2834- //Builds a list of connections from ligands in a Structure
2835- private void addLigandConnections (){
2836- LigandConnectMaker maker = new LigandConnectMaker (structure );
2837- maker .addLigandConnections ();
2838- }
2839-
28402830 private void formLinkRecordBond (LinkRecord linkRecord ) {
28412831 // only work with atoms that aren't alternate locations
28422832 if (linkRecord .getAltLoc1 ().equals (" " )
Original file line number Diff line number Diff line change 5959import org .biojava .nbio .structure .io .BondMaker ;
6060import org .biojava .nbio .structure .io .ChargeAdder ;
6161import org .biojava .nbio .structure .io .FileParsingParameters ;
62- import org .biojava .nbio .structure .io .LigandConnectMaker ;
6362import org .biojava .nbio .structure .io .SeqRes2AtomAligner ;
6463import org .biojava .nbio .structure .io .mmcif .model .AtomSite ;
6564import org .biojava .nbio .structure .io .mmcif .model .AuditAuthor ;
@@ -723,11 +722,6 @@ public void documentEnd() {
723722 if ( params .shouldCreateAtomBonds ()) {
724723 addBonds ();
725724 }
726-
727- // Adds the equivalent CONECT-style records as a PDB has for ligands.
728- if ( params .isCreateLigandConects ()) {
729- addLigandConnections ();
730- }
731725
732726 if ( params .shouldCreateAtomCharges ()) {
733727 addCharges ();
@@ -1039,11 +1033,6 @@ private void addBonds() {
10391033 maker .makeBonds ();
10401034 }
10411035
1042- private void addLigandConnections (){
1043- LigandConnectMaker maker = new LigandConnectMaker (structure );
1044- maker .addLigandConnections ();
1045- }
1046-
10471036 private void alignSeqRes () {
10481037
10491038 logger .debug ("Parsing mode align_seqres, will align to ATOM to SEQRES sequence" );
Original file line number Diff line number Diff line change 2020 */
2121package org .biojava .nbio .structure ;
2222
23- import org .biojava .nbio .core .util .SoftHashMap ;
2423import org .biojava .nbio .structure .io .mmcif .ChemCompGroupFactory ;
2524import org .biojava .nbio .structure .io .mmcif .ChemCompProvider ;
2625import org .biojava .nbio .structure .io .mmcif .DownloadChemCompProvider ;
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