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Merge pull request #126 from Discngine/fixmmcifwriting
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Fixmmcifwriting
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@pschmidtke
pschmidtke authored Jan 11, 2024
2 parents 96a6ed3 + 11cff11 commit 9ff11f6
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Showing 484 changed files with 23,083 additions and 9,121 deletions.
13,962 changes: 13,962 additions & 0 deletions data/sample/7z9t.cif
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14 changes: 7 additions & 7 deletions src/read_mmcif.c
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Original file line number Diff line number Diff line change
Expand Up @@ -313,7 +313,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
strcpy(atom->name, at_in[i].type);
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);
strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];
atom->x = ts_in.coords[(3 * i)];
Expand Down Expand Up @@ -350,7 +350,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
strcpy(atom->name, at_in[i].type);
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);
strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];
atom->x = ts_in.coords[(3 * i)];
Expand Down Expand Up @@ -395,7 +395,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);

strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];

Expand Down Expand Up @@ -465,7 +465,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
strcpy(atom->name, at_in[i].type);
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);
strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];
atom->x = ts_in.coords[(3 * i)];
Expand Down Expand Up @@ -502,7 +502,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
strcpy(atom->name, at_in[i].type);
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);
strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];
atom->x = ts_in.coords[(3 * i)];
Expand Down Expand Up @@ -540,7 +540,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
strcpy(atom->name, at_in[i].type);
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);
strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];
atom->x = ts_in.coords[(3 * i)];
Expand Down Expand Up @@ -578,7 +578,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num
strcpy(atom->name, at_in[i].type);
atom->pdb_aloc = at_in[i].altloc[0];
strcpy(atom->res_name, at_in[i].resname);
strncpy(atom->chain, at_in[i].chain, 2);
strcpy(atom->chain, at_in[i].chain_auth);
atom->res_id = at_in[i].resid;
atom->pdb_insert = at_in[i].insertion[0];
atom->x = ts_in.coords[(3 * i)];
Expand Down
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